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3alpha-Ethoxycarbonyloxy-l2beta-methyl-18-nor-5beta-chol-l3-enoic acid-methylester
SpectraBase Compound ID FARaKTSnJeX
InChI InChI=1S/C28H44O5/c1-6-32-27(30)33-20-13-14-28(4)19(16-20)8-9-22-23-11-10-21(17(2)7-12-25(29)31-5)26(23)18(3)15-24(22)28/h17-22,24H,6-16H2,1-5H3/t17-,18-,19-,20-,21-,22+,24+,28+/m1/s1
InChIKey VHKVEXMORFNXKH-UFMHKXJHSA-N
Mol Weight 460.7 g/mol
Molecular Formula C28H44O5
Exact Mass 460.318875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOZCErppaZF
Name 3alpha-Ethoxycarbonyloxy-l2beta-methyl-18-nor-5beta-chol-l3-enoic acid-methylester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O5
InChI InChI=1S/C28H44O5/c1-6-32-27(30)33-20-13-14-28(4)19(16-20)8-9-22-23-11-10-21(17(2)7-12-25(29)31-5)26(23)18(3)15-24(22)28/h17-22,24H,6-16H2,1-5H3/t17-,18-,19-,20-,21-,22+,24+,28+/m1/s1
InChIKey VHKVEXMORFNXKH-UFMHKXJHSA-N
Molecular Weight 460.655 g/mol
SMILES C(=O)(CC[C@@](C)([C@@]1(C=2[C@](C)(C[C@@]3([C@]4(CC[C@@](OC(OCC)=O)(C[C@@]4([H])CC[C@@]3([H])C2CC1)[H])C)[H])[H])[H])[H])OC
SPLASH splash10-0a4i-0092000000-cd41c03c8fe12af72a61
Source of Spectrum APC-314-124-8
Synonyms Methyl (R)-4-((3R,5R,8R,9S,10S,12R,17R)-3-((ethoxycarbonyl)oxy)-10,12-dimethyl-2,3,4,5,6,7,8,9,10,11,12,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Wiley ID 1787911