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(3S,10S,13R,14R,15S,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,15-diol

View entire compound with spectra: 1 MS (GC)

(3S,10S,13R,14R,15S,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
SpectraBase Compound ID BNjM7eSWTef
InChI InChI=1S/C30H48O2/c1-19(2)10-9-11-20(3)23-18-26(32)30(8)22-12-13-24-27(4,5)25(31)15-16-28(24,6)21(22)14-17-29(23,30)7/h10,12,14,20,23-26,31-32H,9,11,13,15-18H2,1-8H3/t20-,23-,24?,25+,26+,28-,29-,30-/m1/s1
InChIKey CCFQLQIYEHITNK-FKNUZRCOSA-N
Mol Weight 440.7 g/mol
Molecular Formula C30H48O2
Exact Mass 440.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOqDNFRjjH9
Name (3S,10S,13R,14R,15S,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
CAS Registry Number 60433-72-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O2
InChI InChI=1S/C30H48O2/c1-19(2)10-9-11-20(3)23-18-26(32)30(8)22-12-13-24-27(4,5)25(31)15-16-28(24,6)21(22)14-17-29(23,30)7/h10,12,14,20,23-26,31-32H,9,11,13,15-18H2,1-8H3/t20-,23-,24?,25+,26+,28-,29-,30-/m1/s1
InChIKey CCFQLQIYEHITNK-FKNUZRCOSA-N
Molecular Weight 440.712 g/mol
SMILES O[C@]1(C[C@@]([C@@]2([C@@]1(C1=CCC3C([C@](CC[C@@]3(C1=CC2)C)(O)[H])(C)C)C)C)([C@@](CCC=C(C)C)(C)[H])[H])[H]
SPLASH splash10-0006-0000900000-bc87879341a04d283a46
Source of Spectrum KC-1982-2812-0
Synonyms (3S,10S,13R,14R,15S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,15-diol Polycarpol
Wiley ID 1384914