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

*Links on SpectraBase are not permalinks.
Cholest-7-en-6-one, 3,14,20,22,25-pentahydroxy-, (3.beta.,5.beta.,22R)-
SpectraBase Compound ID DVcpcMB8her
InChI InChI=1S/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16?,17-,19?,21-,22?,24+,25+,26+,27?/m0/s1
InChIKey JNTQSSGVHLUIBL-TWMZNYFWSA-N
Mol Weight 464.6 g/mol
Molecular Formula C27H44O6
Exact Mass 464.313789 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 78C7PCePpYk
Name Cholest-7-en-6-one, 3,14,20,22,25-pentahydroxy-, (3.beta.,5.beta.,22R)-
Alternate Name(s) 5.beta.-Cholest-7-en-6-one, 3.alpha.,14,20,22,25-pentahydroxy-, (22R)- 3,14,20,22,25-Pentahydroxycholest-7-en-6-one 2-Deoxy-3-epicrustecdysone 2-Deoxy-.beta.-ecdysone 5.beta.-cholest-7-en-6-one, 3alpha,14,20,22,25-pentahydroxy-, (22R)- 2-Deoxycrustecdysone 5.beta.-Cholest-7-en-6-one, 3.beta.,14,20,22,25-pentahydroxy-, (22R)- 5.beta.-cholest-7-en-6-one, 3beta,14,20,22,25-pentahydroxy-, (22R)- Cholest-7-en-6-one, 3,14,20,22,25-pentahydroxy-, (3beta,5beta,22R)- (9R,10R,13R,17S)-3,14-dihydroxy-10,13-dimethyl-17-[(2R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one Crustecdysone, deoxy- (9R,10R,13R,17S)-10,13-dimethyl-17-[(2R)-6-methyl-2,3,6-tris(oxidanyl)heptan-2-yl]-3,14-bis(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one Deoxycrustecdysone
CAS Registry Number 22785-88-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O6
InChI InChI=1S/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16?,17-,19?,21-,22?,24+,25+,26+,27?/m0/s1
InChIKey JNTQSSGVHLUIBL-TWMZNYFWSA-N
Molecular Weight 464.643 g/mol
SMILES OC(CCC([C@@]([C@@]1([C@@]2(C(C=3[C@@]([C@]4(CCC(CC4C(C3)=O)O)C)(CC2)[H])(CC1)O)C)[H])(O)C)O)(C)C
SPLASH splash10-03e9-6369100000-521274823ac7f8d8f05c
Source of Spectrum B-22-1063-4
Wiley ID 1391542