(Q104998443)

English

2-[6-[[17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₀H₆₆O₉

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Statements

instance of

group of stereoisomers

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subclass of

stigmastan-type steroid

1 reference

inferred from

stigmastan-type steroid

mass

690.9482 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₆₆O₉

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canonical SMILES

OC1C(OC(C)C(O)C1O)OC2COC(OC3CC4=CCC5C(CCC6(C)C(CCC56)C(C=CC(CC)C(C)C)C)C4(C)CC3)C(O)C2O

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Identifiers

InChI

InChI=1S/C40H66O9/c1-8-24(21(2)3)10-9-22(4)28-13-14-29-27-12-11-25-19-26(15-17-39(25,6)30(27)16-18-40(28,29)7)48-37-35(44)33(42)31(20-46-37)49-38-36(45)34(43)32(41)23(5)47-38/h9-11,21-24,26-38,41-45H,8,12-20H2,1-7H3

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InChIKey

FNQCYDRHMWUNLI-UHFFFAOYSA-N

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PubChem CID

163035081

1 reference

based on heuristic

inferred from InChIKey

(Q104998443)

2-[6-[[17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

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Identifiers

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