(Q104399539)

English

(4R,4aS,6aS,6bR,8aS,11R,12aR,12bS,14aS,14bS)-11-(hydroxymethyl)-4,4a,6b,8a,11,12b,14a-heptamethyl-tetradecahydro-1H-picen-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(4aS,6aR,6aS,6bR,8aS,11R,12aR,14aS,14bS)-11-(hydroxymethyl)-4,4a,6a,6b,8a,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from SMILES

D:A-Friedooleanan-3-one, 29-hydroxy-, (20alpha)-

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

1 reference

C₃₀H₅₀O₂

0 references

canonical SMILES

O=C1CCC2C(C)(CCC3C2(C)CCC4(C)C5CC(C)(CO)CCC5(C)CCC34C)C1C

0 references

isomeric SMILES

C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C

0 references

found in taxon

Cheiloclinium hippocrateoides

1 reference

stated in

Cheiloclines A—I. First Examples of Octacyclic Sesquiterpene-Triterpene Hetero-Diels—Alder Adducts.

Monteverdia obtusifolia

1 reference

stated in

Complete assignment of the1H and13C NMR spectra of four triterpenes of the ursane, artane, lupane and friedelane groups

Celastrus vulcanicola

2 references

stated in

Friedelane triterpenes from Celastrus vulcanicola as photosynthetic inhibitors

stated in

Friedelane triterpenes from Celastrus vulcanicola as photosynthetic inhibitors

Microtropis triflora

1 reference

stated in

Novel Triterpenoids fromMicrotropis triflora with Antitumor Activities

Salacia chinensis

3 references

stated in

Structures of new friedelane-type triterpenes and eudesmane-type sesquiterpene and aldose reductase inhibitors from Salacia chinensis

stated in

Structures of new friedelane-type triterpenes and eudesmane-type sesquiterpene and aldose reductase inhibitors from Salacia chinensis

stated in

The absolute stereostructures of three rare D:B-friedobaccharane skeleton triterpenes from the leaves of Salacia chinensis

Lydenburgia cassinoides

1 reference

stated in

Three triterpenes and other terpenoids from Catha cassinoides

Celastrus hypoleucus

1 reference

stated in

Chemical Constituents of the Aerial Part ofCelastrus Hypoleucus

Crossopetalum gaumeri

1 reference

stated in

Cytotoxic cardenolides and antibacterial terpenoids from Crossopetalum gaumeri

Elaeodendron glaucum

1 reference

stated in

D:A-Friedooleananes From Elaeodendron glaucum

Euonymus alatus

1 reference

stated in

Triterpenes of Euonymus alatus and their cytotoxic activity

Semialarium mexicanum

1 reference

stated in

Triterpenoids from Hippocratea excelsa. The Crystal Structure of 29-Hydroxytaraxerol

Gymnosporia diversifolia

1 reference

stated in

Antitumour triterpenes of Maytenus diversifolia

Monteverdia horrida

1 reference

stated in

Triterpenes from Maytenus horrida

Monteverdia ilioppjfeowneviufheiuwfew fgr

1 reference

stated in

Triterpenes fromMaytenus ilicifolia

Monteverdia macrocarpa

1 reference

stated in

Friedelane triterpenoids from Maytenus macrocarpa

Salacia petenensis

1 reference

stated in

Isolation and frontier molecular orbital investigation of bioactive quinone-methide triterpenoids from the bark of Salacia petenensis

Kothala himbutu

1 reference

stated in

Biogenetically important quinonemethides and other triterpenoid constituents of Salacia reticulata

Tanaecium jaroba

1 reference

stated in

A new diterpene from Tanaecium jaroba.

Tripterygium hypoglaucum

1 reference

stated in

Triterpenoids from Tripterygium wilfordii

Tripterygium wilfordii

1 reference

stated in

Triterpenoids from Tripterygium wilfordii

Celastrus vulcanicolus

1 reference

stated in

Friedelane triterpenes from Celastrus vulcanicola as photosynthetic inhibitors

Salacia cordata

1 reference

stated in

Isolation and frontier molecular orbital investigation of bioactive quinone-methide triterpenoids from the bark of Salacia petenensis

Identifiers

InChI

InChI=1S/C30H50O2/c1-20-21(32)8-9-22-27(20,4)11-10-23-28(22,5)15-17-30(7)24-18-25(2,19-31)12-13-26(24,3)14-16-29(23,30)6/h20,22-24,31H,8-19H2,1-7H3/t20-,22+,23-,24+,25+,26+,27+,28-,29+,30-/m0/s1

0 references

InChIKey

NAOCHKKFDYTOII-MGIZKUGISA-N

0 references

CAS Registry Number

39903-21-4

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NAOCHKKFDYTOII-MGIZKUGISA-N

ChEBI ID

132374

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C30H50O2/c1-20-21(32)8-9-22-27(20,4)11-10-23-28(22,5)15-17-30(7)24-18-25(2,19-31)12-13-26(24,3)14-16-29(23,30)6/h20,22-24,31H,8-19H2,1-7H3/t20-,22+,23-,24+,25+,26+,27+,28-,29+,30-/m0/s1

1 reference

1 reference

matched by identifier from

InChIKey

NAOCHKKFDYTOII-MGIZKUGISA-N

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