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

*Links on SpectraBase are not permalinks.

VITAMIN-D3;9,10-SECOCHOLESTA-5,7,10(19)-TRIEN-3-BETA-OL

View entire compound with spectra: 3 NMR, and 5 MS (GC)

VITAMIN-D3;9,10-SECOCHOLESTA-5,7,10(19)-TRIEN-3-BETA-OL
SpectraBase Compound ID tz3u3smpGk
InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13+
InChIKey QYSXJUFSXHHAJI-FWSOMWAYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 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 LuTjBYKYFAD
Name 9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3.beta.,5Z,7E)-
Alternate Name(s) Cholecalciferol (5E,7E)-9,10-secocholesta-5,7,10-trien-3-ol (+)-Vitamin D3 (3.beta.,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol (3E)-3-[(2E)-2-[1-(1,5-dimethylhexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol (3E)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol (3E)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol 7-Dehydrocholesterol, activated 7-Dehydrocholesterol, irradiated 7-Dehydrocholestrol, activated 9,10-seco(5Z,7E)-5,7,10(19)-cholestatrien-3-ol 9,10-Secocholesta-5,7,10(19)-trien-3-ol 9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3beta,5Z,7E)- 9,10-Secocholestr-5,7,10(19)-trien-3-ol,3-.beta.,5Z,7e- 9,10-Secocholestra-5,7,10(19)-trien-3-ol, (3beta,5Z,7E)- Activated 7-dehydrocholesterol Arachitol Calciol Cholecalciferol, D3 Cholecalciferolum Colecalciferol Colecalciferolo Colecalciferolum Colecalcipherol D3-vicotrat D3-Vigantol Delsterol Delta-D Deparal Ebivit Irradiated 7-dehydrocholesterol Micro-dee Neo dohyfral D3 Oleovitamin D3 Provitina Quintox Rampage Ricketon Trivitan Vi-de-3-hydrosol VI-DE3 VidDe-3-hydrosol Vigantol Vigorsan Vitamin D3 Vitamin D3 (cholecalciferol) Vitinc Dan-Dee-3 CCRIS 6286 DUPHAFRAL D3 1000 EINECS 200-673-2 EPA PESTICIDE CHEMICAL CODE 202901 HSDB 820 NSC 375571
CAS Registry Number 67-97-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13+
InChIKey QYSXJUFSXHHAJI-FWSOMWAYSA-N
Molecular Weight 384.648 g/mol
SMILES OC1C\C(C(CC1)=C)=C/C=C/1C2C(C)(CCC1)C(CC2)C(CCCC(C)C)C
SPLASH splash10-0670-0901000000-7c196089b7d8e1bfc2f9
Source of Spectrum O-20-338-1
Wiley ID 1361951