(Q105146569)

English

methyl (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Benthamic acid methyl ester

1 reference

based on heuristic

inferred from SMILES

mass

486.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₀O₄

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canonical SMILES

O=C(OC)C12CCC(C)C(O)(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1

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isomeric SMILES

COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2

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found in taxon

Musanga cecropioides

1 reference

stated in

Cecropioic acid, a pentacyclic triterpene from Musanga cecropioides

Acaena pinnatifida

1 reference

stated in

Triterpenoids from Acaena pinnatifida R. et P.

Hedyotis lawsoniae

1 reference

stated in

Studies on the constituents of medicinal and related plants in sri lanka. I. New triterpenes from Hedyotis lawsoniae.

Myrianthus serratus

1 reference

stated in

An E-ring γ-lactone pentacyclic triterpene from Myrianthus serratus

Identifiers

InChI

InChI=1S/C31H50O4/c1-19-11-16-31(25(33)35-8)18-17-28(5)20(24(31)30(19,7)34)9-10-22-27(4)14-13-23(32)26(2,3)21(27)12-15-29(22,28)6/h9,19,21-24,32,34H,10-18H2,1-8H3/t19-,21+,22-,23+,24-,27+,28-,29-,30-,31+/m1/s1

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InChIKey

KVKFKYPXEAKDHI-VCZXUFQISA-N

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1 reference

26 December 2021

1 reference

(Q105146569)

methyl (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Statements

Identifiers

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