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23-ethylergosta-5,24(28)-dien-3.beta.-ol B

View entire compound with spectra: 2 MS (GC)

23-ethylergosta-5,24(28)-dien-3.beta.-ol B
SpectraBase Compound ID 5AaO3WQvrnI
InChI InChI=1S/C30H50O/c1-8-22(21(5)19(2)3)17-20(4)26-11-12-27-25-10-9-23-18-24(31)13-15-29(23,6)28(25)14-16-30(26,27)7/h9,19-20,22,24-28,31H,5,8,10-18H2,1-4,6-7H3/t20-,22?,24+,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey GZYZMUDEXLFIHC-UKJHRJSGSA-N
Mol Weight 426.7 g/mol
Molecular Formula C30H50O
Exact Mass 426.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CehNVPxj72h
Name 23-ethylergosta-5,24(28)-dien-3.beta.-ol B
Alternate Name(s) (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-3-ethyl-1,5-dimethyl-4-methylene-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 23-Ethylerdosta-5,24(28)-dien-3.beta.-ol A (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-3-ethyl-4-isopropyl-1-methyl-pent-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-ethyl-6-methyl-5-methyleneheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-ethyl-6-methyl-5-methylideneheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-ethyl-6-methyl-5-methylidene-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 119944-27-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O
InChI InChI=1S/C30H50O/c1-8-22(21(5)19(2)3)17-20(4)26-11-12-27-25-10-9-23-18-24(31)13-15-29(23,6)28(25)14-16-30(26,27)7/h9,19-20,22,24-28,31H,5,8,10-18H2,1-4,6-7H3/t20-,22?,24+,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey GZYZMUDEXLFIHC-UKJHRJSGSA-N
Molecular Weight 426.729 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CC(C(=C)C(C)C)CC)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-090r-9121000000-7f53f3d4939c0b05e616
Source of Spectrum J-54-2122-36
Wiley ID 1380263