(Q104916237)

English

3a,8-dihydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-(2,3,6-trihydroxy-6-methylheptan-2-yl)-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one

group of stereoisomers with the chemical formula C₃₃H₅₄O₁₂

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instance of

group of stereoisomers

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1 reference

642.361527168 dalton

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based on heuristic

inferred from InChI

chemical formula

C₃₃H₅₄O₁₂

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canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C(O)(C)C(O)CCC(O)(C)C)C4(C)CC(O)C(OC5OC(CO)C(O)C(O)C5O)CC14

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Identifiers

InChI

InChI=1S/C33H54O12/c1-29(2,41)9-8-24(37)32(5,42)23-7-11-33(43)17-12-19(35)18-13-21(44-28-27(40)26(39)25(38)22(15-34)45-28)20(36)14-30(18,3)16(17)6-10-31(23,33)4/h12,16,18,20-28,34,36-43H,6-11,13-15H2,1-5H3

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InChIKey

APFXLSITBUTSAO-UHFFFAOYSA-N

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PubChem CID

14376727

1 reference

matched by identifier from

InChIKey

APFXLSITBUTSAO-UHFFFAOYSA-N

(Q104916237)

3a,8-dihydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-(2,3,6-trihydroxy-6-methylheptan-2-yl)-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one

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