For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3alpha-Ethoxycarbonyloxy-5beta-chol-9(11)-enoic acid-methyl ester
SpectraBase Compound ID EQl4WRezmsE
InChI InChI=1S/C28H44O5/c1-6-32-26(30)33-20-13-15-27(3)19(17-20)8-9-21-23-11-10-22(18(2)7-12-25(29)31-5)28(23,4)16-14-24(21)27/h14,18-23H,6-13,15-17H2,1-5H3/t18-,19-,20-,21+,22-,23+,27+,28-/m1/s1
InChIKey GACRZNJGJCWQRT-QNIZVLHCSA-N
Mol Weight 460.7 g/mol
Molecular Formula C28H44O5
Exact Mass 460.318875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1pdUZ49O7je
Name 3alpha-Ethoxycarbonyloxy-5beta-chol-9(11)-enoic acid-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O5
InChI InChI=1S/C28H44O5/c1-6-32-26(30)33-20-13-15-27(3)19(17-20)8-9-21-23-11-10-22(18(2)7-12-25(29)31-5)28(23,4)16-14-24(21)27/h14,18-23H,6-13,15-17H2,1-5H3/t18-,19-,20-,21+,22-,23+,27+,28-/m1/s1
InChIKey GACRZNJGJCWQRT-QNIZVLHCSA-N
Molecular Weight 460.655 g/mol
SMILES C1C[C@]2([C@@](C[C@@]1(OC(OCC)=O)[H])(CC[C@@]1(C2=CC[C@]2([C@]1(CC[C@@]2([C@](C)(CCC(=O)OC)[H])[H])[H])C)[H])[H])C
SPLASH splash10-00di-0049000000-823c83641a747bf28aaa
Source of Spectrum APC-314-123-7
Synonyms Methyl (R)-4-((3R,5R,8S,10S,13R,14S,17R)-3-((ethoxycarbonyl)oxy)-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Wiley ID 1787910