[(2S,3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R)-hept-6-en-2-yl]-10,13-dimethyl-2-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
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[(2S,3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R)-hept-6-en-2-yl]-10,13-dimethyl-2-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
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CAS No:
176666-83-4
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Formula:
C26H44O8S2
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Chemical Name:
[(2S,3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R)-hept-6-en-2-yl]-10,13-dimethyl-2-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
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Synonyms:
halistanol disulfate B;Halistanol disulfate B;CHEMBL462739;[(2S,3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R)-hept-6-en-2-yl]-10,13-dimethyl-2-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate;176666-83-4;27-Norcholest-25-ene-2,3-diol, disulfate, (2beta,3alpha,5alpha)-
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CAS No:
[(2S,3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R)-hept-6-en-2-yl]-10,13-dimethyl-2-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate Basic Attributes
548.8 g/mol
548.24776070 g/mol
Computed Properties
Molecular Weight:548.8
XLogP3:6.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:548.24776070
Monoisotopic Mass:548.24776070
Topological Polar Surface Area:144
Heavy Atom Count:36
Complexity:1020
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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