(Q105235250)

English

methyl 3-[(3S,3aR,5aS,6S,7S,9aR,9bR)-3-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 3-[3-(2-hydroxy-6-methylhept-5-en-2-yl)-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

1 reference

based on heuristic

inferred from SMILES

mass

472.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O₃

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canonical SMILES

O=C(OC)CCC1(C)C(C(=C)C)CCC2(C)C1CCC3C(CCC32C)C(O)(C)CCC=C(C)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]32C)[C@@]1(C)CCC(=O)OC

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found in taxon

Cabralea canjerana

1 reference

stated in

Cabralea eichleriana dc. (meliaceae)—I structure and stereochemistry of wood extractives

Identifiers

InChI

InChI=1S/C31H52O3/c1-21(2)11-10-17-31(8,33)25-15-19-29(6)24(25)12-13-26-28(5,18-16-27(32)34-9)23(22(3)4)14-20-30(26,29)7/h11,23-26,33H,3,10,12-20H2,1-2,4-9H3/t23-,24+,25-,26-,28-,29+,30+,31-/m0/s1

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InChIKey

RFAOSYMVZBUVLO-FZHRCANWSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105235250)

methyl 3-[(3S,3aR,5aS,6S,7S,9aR,9bR)-3-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

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