(Q105033691)

English

[(1S,2S,3aE,5S,6E,9R,11R,12E,13aR)-4,9,11-triacetyloxy-2,5,8,8,12-pentamethyl-1,2,3,5,9,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,9,11-tris(acetyloxy)-2,5,8,8,12-pentamethyl-1H,2H,3H,5H,9H,10H,11H,13aH-cyclopenta[12]annulen-1-yl benzoate

1 reference

based on heuristic

inferred from SMILES

mass

566.287968304 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₂O₈

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canonical SMILES

O=C(OC1C2C=C(C)C(OC(=O)C)CC(OC(=O)C)C(C=CC(C(OC(=O)C)=C2CC1C)C)(C)C)C=3C=CC=CC3

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isomeric SMILES

CC(=O)O/C1=C2\C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C(\C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)C(C)(C)/C=C/[C@@H]1C

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found in taxon

Euphorbia helioscopia

1 reference

stated in

Diterpenes from Euphorbia helioscopia

Identifiers

InChI

InChI=1S/C33H42O8/c1-19-14-15-33(7,8)29(39-23(5)35)18-28(38-22(4)34)20(2)16-26-27(30(19)40-24(6)36)17-21(3)31(26)41-32(37)25-12-10-9-11-13-25/h9-16,19,21,26,28-29,31H,17-18H2,1-8H3/b15-14+,20-16+,30-27+/t19-,21-,26+,28+,29+,31-/m0/s1

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InChIKey

HTYVCFCGRYYUHZ-WACPJRSLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HTYVCFCGRYYUHZ-WACPJRSLSA-N

(Q105033691)

[(1S,2S,3aE,5S,6E,9R,11R,12E,13aR)-4,9,11-triacetyloxy-2,5,8,8,12-pentamethyl-1,2,3,5,9,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate

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