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(3S,10R,13R)-10,13-dimethyl-17-((S)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl methyl phosphonate
SpectraBase Compound ID AdzkTfNg9X1
InChI InChI=1S/C28H49O3P/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(31-32(29)30-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h10,19-20,22-26,32H,7-9,11-18H2,1-6H3/t20-,22-,23?,24?,25?,26?,27-,28+/m0/s1
InChIKey IYBSOJMZSWNLOE-PSCQLYGGSA-N
Mol Weight 464.7 g/mol
Molecular Formula C28H49O3P
Exact Mass 464.341932 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtWXn8DT8OP
Name (3S,10R,13R)-10,13-dimethyl-17-((S)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl methyl phosphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H49O3P
InChI InChI=1S/C28H49O3P/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(31-32(29)30-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h10,19-20,22-26,32H,7-9,11-18H2,1-6H3/t20-,22-,23?,24?,25?,26?,27-,28+/m0/s1
InChIKey IYBSOJMZSWNLOE-PSCQLYGGSA-N
Literature Reference DOI 10.1002/cjoc.20000180218
Molecular Weight 464.671 g/mol
SMILES P(O[C@]1(CC[C@@]2(C3C(CC=C2C1)C1CCC([C@@]1(C)CC3)[C@](CCCC(C)C)(C)[H])C)[H])(OC)=O
SPLASH splash10-05nb-9826100000-61b8145a4e3b077c5201
Source of Spectrum CJC-18-234-1c
Wiley ID 1774730