(Q110175202)

English

ethyl 3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-6,9a,9b-trimethyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-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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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

458.339609952 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆O₄

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canonical SMILES

O=C(OCC)CCC1(C)C(C(=C)C)CCC2(C)C1CCC3C(CCC32C)C4(OC(=O)CC4)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@]4(C)CCC(=O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OCC

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found in taxon

Dysoxylum binectariferum

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stated in

Cytotoxic dammarane-type triterpenoids from the stem bark of Dysoxylum binecteriferum.

Dysoxylum ficiforme

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stated in

Cytotoxic dammarane-type triterpenoids from the stem bark of Dysoxylum binecteriferum.

Dysoxylum gotadhora

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stated in

Cytotoxic dammarane-type triterpenoids from the stem bark of Dysoxylum binecteriferum.

Identifiers

InChI

InChI=1S/C29H46O4/c1-8-32-24(30)13-15-26(4)20(19(2)3)11-17-28(6)23(26)10-9-21-22(12-16-27(21,28)5)29(7)18-14-25(31)33-29/h20-23H,2,8-18H2,1,3-7H3/t20-,21+,22-,23+,26-,27+,28+,29-/m0/s1

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InChIKey

LRUQUTTZMVYITE-FENQSEDKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LRUQUTTZMVYITE-FENQSEDKSA-N

1 reference

(Q110175202)

ethyl 3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-6,9a,9b-trimethyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-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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Identifiers

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