(Q105020252)

English

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10,11-dihydroxy-9,9-bis(hydroxymethyl)-1,2,6a,6b,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate

group of stereoisomers with the chemical formula C₃₆H₅₈O₁₁

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instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

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inferred from

taraxastane / ursane triterpenoid

mass

666.397912676 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₅₈O₁₁

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)C(C)C3C4=CCC5C6(C)CC(O)C(O)C(CO)(CO)C6CCC5(C)C4(C)CC2

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Identifiers

InChI

InChI=1S/C36H58O11/c1-18-8-11-35(31(45)47-30-28(43)27(42)26(41)22(15-37)46-30)13-12-33(4)20(25(35)19(18)2)6-7-23-32(3)14-21(40)29(44)36(16-38,17-39)24(32)9-10-34(23,33)5/h6,18-19,21-30,37-44H,7-17H2,1-5H3

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InChIKey

GUKYOTLJPUJHGH-UHFFFAOYSA-N

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PubChem CID

163088646

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GUKYOTLJPUJHGH-UHFFFAOYSA-N

(Q105020252)

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10,11-dihydroxy-9,9-bis(hydroxymethyl)-1,2,6a,6b,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate

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