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Sophoradiol
[CAS# 6822-47-5]

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CAS#: 6822-47-5
Product: Sophoradiol
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Identification
Name Sophoradiol
Synonyms Aids-098133; Aids098133; Olean-12-Ene-3.Beta.,22.Beta.-Diol
Molecular Structure CAS#: 6822-47-5, Sophoradiol
Molecular Formula C30H50O2
Molecular Weight 442.72
CAS Registry Number 6822-47-5
SMILES [C@]25(C(=CCC3[C@]1(CC[C@@H](C(C1CC[C@@]23C)(C)C)O)C)C4CC(C)(C)C[C@H]([C@@]4(CC5)C)O)C
InChI 1S/C30H50O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)24(32)18-25/h9,20-24,31-32H,10-18H2,1-8H3/t20?,21?,22?,23-,24+,27+,28-,29+,30+/m0/s1
InChIKey ZEGUWBQDYDXBNS-CVPOBCMLSA-N
Properties
Density 1.057g/cm3 (Cal.)
Boiling point 520.684°C at 760 mmHg (Cal.)
Flash point 210.042°C (Cal.)
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