(Q104946822)

English

10-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

group of stereoisomers with the chemical formula C₃₅H₅₆O₈

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instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

1 reference

inferred from

taraxastane / ursane triterpenoid

mass

604.8157 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₆O₈

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canonical SMILES

O=C(O)C12CCC(C)C(O)(C)C2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC1

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Identifiers

InChI

InChI=1S/C35H56O8/c1-19-10-15-35(29(39)40)17-16-32(5)20(27(35)34(19,7)41)8-9-23-31(4)13-12-24(30(2,3)22(31)11-14-33(23,32)6)43-28-26(38)25(37)21(18-36)42-28/h8,19,21-28,36-38,41H,9-18H2,1-7H3,(H,39,40)

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InChIKey

BVROVRQTLAUYFB-UHFFFAOYSA-N

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PubChem CID

163084957

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BVROVRQTLAUYFB-UHFFFAOYSA-N

(Q104946822)

10-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

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