(Q104961144)

English

[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

group of stereoisomers with the chemical formula C₃₆H₅₈O₁₀

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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

650.402998056 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₈O₁₀

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)(C)CC3C4=CCC5C6(C)CC(O)C(O)C(C)(CO)C6CCC5(C)C4(C)CC2

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found in taxon

Delavay's tree peony

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stated in

Chemical constituents from the root bark of Paeonia delavayi

Picrorhiza kurroa

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stated in

Cyclooxygenase-2 enzyme inhibitory triterpenoids from Picrorhiza kurroa seeds

Identifiers

InChI

InChI=1S/C36H58O10/c1-31(2)11-13-36(30(44)46-29-27(42)26(41)25(40)22(17-37)45-29)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(43)33(4,18-38)23(32)9-10-35(24,34)6/h7,20-29,37-43H,8-18H2,1-6H3

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InChIKey

CJHYKSSBQRABTM-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104961144)

[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Statements

Identifiers

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