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

*Links on SpectraBase are not permalinks.
A-Nor-1,2-secostigmastane-1,2-dioic acid, (5.alpha.)-
SpectraBase Compound ID LiK2pXVBUwY
InChI InChI=1S/C28H48O4/c1-7-19(17(2)3)9-8-18(4)22-12-13-23-21-11-10-20(16-25(29)30)28(6,26(31)32)24(21)14-15-27(22,23)5/h17-24H,7-16H2,1-6H3,(H,29,30)(H,31,32)
InChIKey JZSZSBOGIXDJCJ-UHFFFAOYSA-N
Mol Weight 448.7 g/mol
Molecular Formula C28H48O4
Exact Mass 448.35526 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 4r0pgWScFc
Name A-Nor-1,2-secostigmastane-1,2-dioic acid, (5.alpha.)-
CAS Registry Number 63727-15-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O4
InChI InChI=1S/C28H48O4/c1-7-19(17(2)3)9-8-18(4)22-12-13-23-21-11-10-20(16-25(29)30)28(6,26(31)32)24(21)14-15-27(22,23)5/h17-24H,7-16H2,1-6H3,(H,29,30)(H,31,32)
InChIKey JZSZSBOGIXDJCJ-UHFFFAOYSA-N
Molecular Weight 448.688 g/mol
SMILES OC(C1(C(CC(=O)O)CCC2C3C(CCC12)(C(CC3)C(CCC(C(C)C)CC)C)C)C)=O
SPLASH splash10-00di-0090200000-f2762036f276eb7fba1c
Source of Spectrum C-99-4481-0
Synonyms 1,3-seco-2-nor-5.alpha.-stigmasta-1,3-dioic acid 7-(carboxymethyl)-3-(4-ethyl-1,5-dimethylhexyl)-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalene-6-carboxylic acid
Wiley ID 1387325