(6aR,7R,8S,10aS)-7,8-dimethyl-7-[2-[(3R)-5-oxooxolan-3-yl]ethyl]-1,5,6,6a,8,10-hexahydrobenzo[d][2]benzofuran-3,9-dione (Q105157701)

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chemical compound

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Language	Label	Description	Also known as
English	(6aR,7R,8S,10aS)-7,8-dimethyl-7-[2-[(3R)-5-oxooxolan-3-yl]ethyl]-1,5,6,6a,8,10-hexahydrobenzo[d][2]benzofuran-3,9-dione	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

7,8-Dimethyl-7-[2-(5-oxooxolan-3-yl)ethyl]-1,5,6,6a,8,10-hexahydrobenzo[d][2]benzofuran-3,9-dione

1 reference

based on heuristic

inferred from SMILES

mass

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(6aR,7S,8S,10aS)-7,8-dimethyl-7-[2-[(3R)-5-oxooxolan-3-yl]ethyl]-1,5,6,6a,8,10-hexahydrobenzo[d][2]benzofuran-3,9-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(6aR,7R,8R,10aS)-7,8-dimethyl-7-[2-[(3R)-5-oxooxolan-3-yl]ethyl]-1,5,6,6a,8,10-hexahydrobenzo[d][2]benzofuran-3,9-dione

1 reference

based on heuristic

inferred from InChI

(6aR,7S,8R,10aS)-7,8-dimethyl-7-[2-[(3R)-5-oxooxolan-3-yl]ethyl]-1,5,6,6a,8,10-hexahydrobenzo[d][2]benzofuran-3,9-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₅

0 references

canonical SMILES

O=C1OCC23C1=CCCC2C(C)(CCC4COC(=O)C4)C(C(=O)C3)C

0 references

isomeric SMILES

C[C@@H]1C(=O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@H]1COC(=O)C1

0 references

found in taxon

Baccharis articulata

1 reference

stated in

Clerodane diterpenoids from Baccharis articulata

Baccharis chilco

1 reference

stated in

Clerodane and labdane diterpenoids from Baccharis species

Baccharis linearifolia

1 reference

stated in

Clerodane and labdane diterpenoids from Baccharis species

Baccharis gaudichaudiana

3 references

stated in

A new ent-clerodane diterpene from the aerial parts of Baccharis gaudichaudiana

stated in

Bioactive ent-clerodane diterpenoids from the aerial parts of Baccharis gaudichaudiana

stated in

Gaudichanolides A and B, clerodane diterpenes from Baccharis gaudichaudiana

Baccharis genistelloides

1 reference

stated in

Studies on the constituents of Baccharis genistelloides.

Baccharis sagittalis

1 reference

stated in

Studies on the constituents of Baccharis genistelloides.

Baccharis nitida

1 reference

stated in

Clerodane and labdane diterpenoids from Baccharis species

Baccharis rufidula

1 reference

stated in

Neo-clerodane type diterpenes from Baccharis trinervis

Baccharis trinervis

1 reference

stated in

Neo-clerodane type diterpenes from Baccharis trinervis

Baccharis venosa

1 reference

stated in

Studies on the constituents of Baccharis genistelloides.

Identifiers

InChI

InChI=1S/C20H26O5/c1-12-15(21)9-20-11-25-18(23)14(20)4-3-5-16(20)19(12,2)7-6-13-8-17(22)24-10-13/h4,12-13,16H,3,5-11H2,1-2H3/t12-,13-,16-,19+,20-/m1/s1

0 references

InChIKey

LUYUZBFGBTZZHC-JOXYBWGKSA-N

0 references

PubChem CID

162843525

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

LUYUZBFGBTZZHC-JOXYBWGKSA-N

 

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