(Q105384214)

English

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

group of stereoisomers with the chemical formula C₅₂H₈₄O₁₉

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instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

1,012.5606804680006 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₂H₈₄O₁₉

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)OCCCC)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC8OC(CO)C(O)C(O)C8O)C(C)(C)C5CCC4(C)C3(C)CC1

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Identifiers

InChI

InChI=1S/C52H84O19/c1-9-10-21-65-42(62)40-38(61)39(69-43-36(59)34(57)32(55)27(23-53)66-43)41(71-44-37(60)35(58)33(56)28(24-54)67-44)45(70-40)68-31-14-15-49(6)29(48(31,4)5)13-16-51(8)30(49)12-11-25-26-22-47(2,3)17-19-52(26,46(63)64)20-18-50(25,51)7/h11,26-41,43-45,53-61H,9-10,12-24H2,1-8H3,(H,63,64)

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InChIKey

ZVBYEOQPQROTOB-UHFFFAOYSA-N

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PubChem CID

163102909

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZVBYEOQPQROTOB-UHFFFAOYSA-N

(Q105384214)

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

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