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

*Links on SpectraBase are not permalinks.
KIUSIANIN-B;21-HYDROXY-CHOLEST-4,20-DIEN-3-ONE
SpectraBase Compound ID GkGbrELdQAI
InChI InChI=1S/C27H42O2/c1-18(2)6-5-7-19(17-28)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h7,16,18,22-25,28H,5-6,8-15,17H2,1-4H3/b19-7+/t22-,23+,24-,25-,26-,27+/m0/s1
InChIKey NLZUWZZVWZLMOY-RSQAWRLASA-N
Mol Weight 398.6 g/mol
Molecular Formula C27H42O2
Exact Mass 398.318481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Ip8azdFbiCd
Name KIUSIANIN-B;21-HYDROXY-CHOLEST-4,20-DIEN-3-ONE
Compound Number 2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42O2
InChI InChI=1S/C27H42O2/c1-18(2)6-5-7-19(17-28)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h7,16,18,22-25,28H,5-6,8-15,17H2,1-4H3/b19-7+/t22-,23+,24-,25-,26-,27+/m0/s1
InChIKey NLZUWZZVWZLMOY-RSQAWRLASA-N
Literature Reference Author M.SHIMADA,M.OZAWA,K.IWAMOTO,Y.FUKUYAMA,A.KISHIDA,A.OHSAKI
Literature Reference Citation CHEM.PHARM.BULL.,62,937(2014)
Literature Reference DOI 10.1248/cpb.c14-00200
Molecular Weight 398.629 g/mol
Solvent CDCl3
Source File Reference UWBT13935