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Pregn-5-en-3-ol, 20-methyl-21-[2-methyl-3-(1-methylethyl)-2-cyclopropen-1-yl]-, [3.beta.,20R,21(R)]-
SpectraBase Compound ID B5v9lBRR49h
InChI InChI=1S/C29H46O/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/h7,17-18,21-26,30H,8-16H2,1-6H3/t18-,21+,22+,23?,24-,25+,26+,28+,29-/m1/s1
InChIKey HBUXJBGKOKXRBP-NEOAVWEOSA-N
Mol Weight 410.7 g/mol
Molecular Formula C29H46O
Exact Mass 410.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38m6oQMt1sJ
Name Pregn-5-en-3-ol, 20-methyl-21-[2-methyl-3-(1-methylethyl)-2-cyclopropen-1-yl]-, [3.beta.,20R,21(R)]-
CAS Registry Number 83511-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O
InChI InChI=1S/C29H46O/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/h7,17-18,21-26,30H,8-16H2,1-6H3/t18-,21+,22+,23?,24-,25+,26+,28+,29-/m1/s1
InChIKey HBUXJBGKOKXRBP-NEOAVWEOSA-N
Molecular Weight 410.686 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@@]([C@@](CC5C(=C5C(C)C)C)(C)[H])(CC[C@]4([C@@]3(CC=C2C1)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-006t-8090100000-c9aa5504a2b5b156bf61
Source of Spectrum C-105-4416-0
Synonyms (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-1-[2-methyl-3-(propan-2-yl)cycloprop-2-en-1-yl]propan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-ol (23R)-23,28-cyclostigmasta-5,24(28)-dien-3-.beta.-ol (23R)-23H-Isocalysterol (23S)-23H-Isocalysterol Isocalysterol
Wiley ID 1373910