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Neotigogenin
[CAS# 470-01-9]

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Identification
Name Neotigogenin
Synonyms Spirostan-3-Ol, (3.Alpha.,5.Beta.,25S)-; Tigogenin; (25R)-5.Alpha.-Spirostan-3.Beta.-Ol
Molecular Structure CAS#: 470-01-9, Neotigogenin
Molecular Formula C27H44O3
Molecular Weight 416.64
CAS Registry Number 470-01-9
SMILES CC1C6(OC2CC3C(C12)(CCC4C3CCC5C4(CCC(C5)O)C)C)CCC(C)CO6
InChI 1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3
InChIKey GMBQZIIUCVWOCD-UHFFFAOYSA-N
Properties
Density 1.113g/cm3 (Cal.)
Boiling point 516.605°C at 760 mmHg (Cal.)
Flash point 266.233°C (Cal.)
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