(Q105134699)

English

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

group of stereoisomers with the chemical formula C₃₀H₄₈O₄

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Statements

instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

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inferred from

oleanane triterpenoid

mass

472.355260016 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₄

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canonical SMILES

O=C(O)C1(C)CC(O)C2(C)CCC3(C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1)C

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isomeric SMILES

CC1(C)C2CC[C@]3(C)C(CC=C4[C@@H]5C[C@](C)(C(=O)O)C[C@@H](O)[C@]5(C)CCC43C)[C@@]2(C)CC[C@@H]1O

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found in taxon

Tripterygium hypoglaucum

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stated in

Medicinal chemistry and pharmacology of genus Tripterygium (Celastraceae)

Tripterygium wilfordii

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stated in

Medicinal chemistry and pharmacology of genus Tripterygium (Celastraceae)

Identifiers

InChI

InChI=1S/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20?,21?,22-,23+,26-,27+,28-,29?,30+/m0/s1

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InChIKey

JTBGJQZJEYVBJZ-FLQXMOTPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JTBGJQZJEYVBJZ-FLQXMOTPSA-N

1 reference

(Q105134699)

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

Statements

Identifiers

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