(Q105382178)

English

[2,6-Dihydroxy-6-methyl-2-(2,3,5,14-tetrahydroxy-10,13-dimethyl-6-oxo-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)heptan-3-yl] benzoate

group of stereoisomers with the chemical formula C₃₄H₄₈O₉

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instance of

group of stereoisomers

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1 reference

600.329833116 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₈O₉

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canonical SMILES

O=C(OC(CCC(O)(C)C)C(O)(C)C1CCC2(O)C3=CC(=O)C4(O)CC(O)C(O)CC4(C)C3CCC12C)C=5C=CC=CC5

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Identifiers

InChI

InChI=1S/C34H48O9/c1-29(2,39)14-13-27(43-28(38)20-9-7-6-8-10-20)32(5,40)25-12-16-33(41)22-17-26(37)34(42)19-24(36)23(35)18-31(34,4)21(22)11-15-30(25,33)3/h6-10,17,21,23-25,27,35-36,39-42H,11-16,18-19H2,1-5H3

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InChIKey

ZRQVNQPGHJLWEU-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZRQVNQPGHJLWEU-UHFFFAOYSA-N

(Q105382178)

[2,6-Dihydroxy-6-methyl-2-(2,3,5,14-tetrahydroxy-10,13-dimethyl-6-oxo-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)heptan-3-yl] benzoate

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