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5.alpha.-calystanol
SpectraBase Compound ID 5kAJeYBBkOE
InChI InChI=1S/C29H48O/c1-17(2)27-19(4)23(27)15-18(3)24-9-10-25-22-8-7-20-16-21(30)11-13-28(20,5)26(22)12-14-29(24,25)6/h17-22,24-26,30H,7-16H2,1-6H3/t18-,19-,20?,21+,22?,24?,25?,26?,28+,29-/m1/s1
InChIKey LTSPMIHIWVJPLS-VYPSMQMGSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKgoVpGgRhh
Name 5.alpha.-calystanol
CAS Registry Number 117064-35-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/c1-17(2)27-19(4)23(27)15-18(3)24-9-10-25-22-8-7-20-16-21(30)11-13-28(20,5)26(22)12-14-29(24,25)6/h17-22,24-26,30H,7-16H2,1-6H3/t18-,19-,20?,21+,22?,24?,25?,26?,28+,29-/m1/s1
InChIKey LTSPMIHIWVJPLS-VYPSMQMGSA-N
Molecular Weight 412.702 g/mol
SMILES O[C@]1(CC[C@@]2(C3CC[C@@]4(C([C@@](CC5=C(C(C)C)[C@@]5(C)[H])(C)[H])CCC4C3CCC2C1)C)C)[H]
SPLASH splash10-03ka-1930000000-6eb47c9880962854c6b0
Source of Spectrum C-110-8128-8
Synonyms (2S,5S,15R)-2,15-dimethyl-14-[(2R)-1-[(3R)-3-methyl-2-(propan-2-yl)cycloprop-1-en-1-yl]propan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-ol
Wiley ID 1374784