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Chalinasterol

View entire compound with spectra: 4 MS (GC)

Chalinasterol
SpectraBase Compound ID CimZzr6JzQW
InChI InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23?,24?,25?,26?,27+,28-/m1/s1
InChIKey INDVLXYUCBVVKW-USKFMSNWSA-N
Mol Weight 398.7 g/mol
Molecular Formula C28H46O
Exact Mass 398.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YOpy7BQPmf
Name Chalinasterol
CAS Registry Number 474-63-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O
InChI InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23?,24?,25?,26?,27+,28-/m1/s1
InChIKey INDVLXYUCBVVKW-USKFMSNWSA-N
Molecular Weight 398.675 g/mol
SMILES O[C@]1(CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@@](CCC(=C)C(C)C)(C)[H])C)C)[H]
SPLASH splash10-00fs-9321000000-24f985a4d6312033d614
Source of Spectrum F4-0-2758-7
Synonyms Ergosta-5,24(28)-dien-3-ol, (3.beta.)- Ergosta-5,24(28)-dien-3.beta.-ol Ergosta-5,24(28)-dien-3-ol 10,13-dimethyl-17-(6-methyl-5-methyleneheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 10,13-dimethyl-17-(6-methyl-5-methylidene-heptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 17-(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 17-(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 24-Methylenecholesterol Cholesterol, 24-methylene- Ostreasterol (3S,10R,13R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methyleneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,10R,13R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,10R,13R)-17-[(1R)-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 (3S,10R,13R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol NSC 232664
Wiley ID 1620339