(Q104945606)

English

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

group of stereoisomers with the chemical formula C₄₂H₆₈O₁₅

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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

812.4558214760004 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₆₈O₁₅

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)C(O)(C)C3C4=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CC2

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Identifiers

InChI

InChI=1S/C42H68O15/c1-20-9-14-42(36(52)57-35-32(51)30(49)28(47)23(18-44)55-35)16-15-39(4)21(33(42)41(20,6)53)7-8-25-37(2)12-11-26(38(3,19-45)24(37)10-13-40(25,39)5)56-34-31(50)29(48)27(46)22(17-43)54-34/h7,20,22-35,43-51,53H,8-19H2,1-6H3

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InChIKey

BTGWDXCTCFDPBM-UHFFFAOYSA-N

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PubChem CID

163000180

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BTGWDXCTCFDPBM-UHFFFAOYSA-N

(Q104945606)

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

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