(Q105218031)

English

(1R,3S,4aS,6aR,6bS,8aR,12aR,14R,14aS,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-1,3,14-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-1,3,14-triol

1 reference

based on heuristic

inferred from SMILES

mass

458.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₃

0 references

canonical SMILES

OC1C=C2C3CC(C)(C)CCC3(C)CCC2(C)C4(C)CCC5C(C)(C)C(O)CC(O)C5(C)C14

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isomeric SMILES

CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@]5(C)[C@@H](CC[C@]43C)C(C)(C)[C@@H](O)C[C@H]5O)[C@@H]2C1

0 references

found in taxon

Monteverdia horrida

1 reference

stated in

Triterpenes from Maytenus horrida

Identifiers

InChI

InChI=1S/C30H50O3/c1-25(2)11-12-27(5)13-14-28(6)18(19(27)17-25)15-20(31)24-29(28,7)10-9-21-26(3,4)22(32)16-23(33)30(21,24)8/h15,19-24,31-33H,9-14,16-17H2,1-8H3/t19-,20+,21-,22-,23+,24-,27+,28+,29+,30+/m0/s1

0 references

InChIKey

QBUXFBWQTPCGSC-TWAIRLKRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QBUXFBWQTPCGSC-TWAIRLKRSA-N

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