(Q110197729)

English

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

group of stereoisomers with the chemical formula C₃₈H₆₀O₁₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

708.40847736 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₆₀O₁₂

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canonical SMILES

O=C(OC1CC2(C)C3CC=C4C5C(O)(C)C(C)CCC5(C(=O)OC6OC(CO)C(O)C(O)C6O)CCC4(C)C3(C)CCC2C(C)(CO)C1O)C

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found in taxon

Rubus microphyllus

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stated in

β-glucosyl esters of 19α-hydroxyursolic acid derivatives in leaves of Rubus species

Identifiers

InChI

InChI=1S/C38H60O12/c1-19-10-13-38(32(46)50-31-28(44)27(43)26(42)23(17-39)49-31)15-14-35(5)21(29(38)37(19,7)47)8-9-25-33(3)16-22(48-20(2)41)30(45)34(4,18-40)24(33)11-12-36(25,35)6/h8,19,22-31,39-40,42-45,47H,9-18H2,1-7H3

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InChIKey

LDEKTVOHKULASL-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q110197729)

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

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Identifiers

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