(Q105240478)

English

8-[(4S,5R,6R,9S,10R,12R,14R)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]octanoic acid

group of stereoisomers with the chemical formula C₂₇H₄₀O₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

460.282489 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₀O₆

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canonical SMILES

O=C(O)CCCCCCCC1=CC2C(=O)C3(C=C(C)C(O)C3(O)C1O)C(C)CC4C2C4(C)C

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isomeric SMILES

CC1=CC23C(=O)[C@@H](C=C(CCCCCCCC(=O)O)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C

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found in taxon

Euphorbia peplus

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stated in

Biologically active diterpene esters from euphorbia peplus

Identifiers

InChI

InChI=1S/C27H40O6/c1-15-14-26-16(2)12-19-21(25(19,3)4)18(24(26)32)13-17(23(31)27(26,33)22(15)30)10-8-6-5-7-9-11-20(28)29/h13-14,16,18-19,21-23,30-31,33H,5-12H2,1-4H3,(H,28,29)/t16-,18+,19-,21+,22+,23-,26?,27-/m1/s1

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InChIKey

RLRYPFZIWXJLKS-VTTQBEPZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RLRYPFZIWXJLKS-VTTQBEPZSA-N

(Q105240478)

8-[(4S,5R,6R,9S,10R,12R,14R)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]octanoic acid

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Identifiers

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