(Q104957744)

English

6-[(4-Carboxy-2,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-7-oxo-1,2,3,4a,5,6,8,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

group of stereoisomers with the chemical formula C₃₅H₅₂O₁₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

664.345877104 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₂O₁₂

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canonical SMILES

O=C(O)C1OC(OC2C(O)CC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6C(O)C(=O)C54C)C2(C(=O)O)C)C(O)C(O)C1O

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Identifiers

InChI

InChI=1S/C35H52O12/c1-31(2)11-9-15-16(13-31)17-7-8-19-32(3)14-18(36)27(47-29-24(40)22(38)23(39)25(46-29)28(42)43)34(5,30(44)45)20(32)10-12-33(19,4)35(17,6)26(41)21(15)37/h7,15-16,18-25,27,29,36-40H,8-14H2,1-6H3,(H,42,43)(H,44,45)

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InChIKey

CGJIDBNEFGNOSK-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CGJIDBNEFGNOSK-UHFFFAOYSA-N

(Q104957744)

6-[(4-Carboxy-2,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-7-oxo-1,2,3,4a,5,6,8,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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