(Q105004239)

English

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

1 reference

based on heuristic

inferred from SMILES

mass

498.261753556 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₈O₇

0 references

canonical SMILES

O=C(OC1C2C=C(C)C(O)CC(=O)C(C=CC(C)C(OC(=O)C)C2(O)CC1C)(C)C)C=3C=CC=CC3

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isomeric SMILES

CC(=O)O[C@H]1[C@@H](C)/C=C/C(C)(C)C(=O)C[C@@H](O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]21O

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found in taxon

Euphorbia helioscopia

1 reference

stated in

Diterpenes from Euphorbia helioscopia

Identifiers

InChI

InChI=1S/C29H38O7/c1-17-12-13-28(5,6)24(32)15-23(31)18(2)14-22-25(36-27(33)21-10-8-7-9-11-21)19(3)16-29(22,34)26(17)35-20(4)30/h7-14,17,19,22-23,25-26,31,34H,15-16H2,1-6H3/b13-12+,18-14+/t17-,19-,22-,23+,25-,26-,29+/m0/s1

0 references

InChIKey

FXSRXIVXXGEOIQ-YQVNOZNRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FXSRXIVXXGEOIQ-YQVNOZNRSA-N

(Q105004239)

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

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