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9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, (3.beta.,5Z,7E,22E)-

View entire compound with spectra: 4 MS (GC)

9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, (3.beta.,5Z,7E,22E)-
SpectraBase Compound ID 6nM6tSpX3k8
InChI InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13+
InChIKey MECHNRXZTMCUDQ-ZJGOHBTISA-N
Mol Weight 396.7 g/mol
Molecular Formula C28H44O
Exact Mass 396.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ii0E4WEOe4
Name 9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, (3.beta.,5Z,7E,22E)-
CAS Registry Number 50-14-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O
InChI InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13+
InChIKey MECHNRXZTMCUDQ-ZJGOHBTISA-N
Molecular Weight 396.659 g/mol
SMILES OC1C\C(C(CC1)=C)=C/C=C/1C2C(C)(CCC1)C(CC2)C(\C=C\C(C(C)C)C)C
SPLASH splash10-0670-1900000000-cd84d68619fd1fd13d9c
Source of Spectrum O-18-315-1
Synonyms Ergocalciferol (+)-Vitamin D2 (3E)-3-[(2E)-2-[1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol (3E)-3-[(2E)-2-[1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol (3E)-3-[(2E)-2-[7a-methyl-1-[(E)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol (5E,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol 9,10-seco(5Z,7E,22E)-5,7,10(19),22-ergostatetraen-3-ol 9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, (3beta,5Z,7E,22E)- Buco-D Calciferol Calciferol (Vitamin D2) Calciferolum Calciferon 2 Component of Geltabs vitamin D Condacaps Condocaps Condol Crtron Crystallina Cycloheanol, 4-methylene-3-(2-(tetrahydro-7a-methyl-1-(1,4,5-trimethyl-2-hexenyl)-4(3aH)-indanylidene)ethylidene)- D-Arthin D-Tracetten DARAL Davitamon D Davitin De-rat concentrate Decaps Dee-Osterol Dee-Ron Dee-Ronal Dee-Roual Deltalin Deratol Detalup Diactol Divit urto DORAL Drisdol Ercalciol Ergocalciferolo Ergocalciferolum Ergorone Ergosterol activated Ergosterol, irradiated Ertron Fortodyl Geltabs Geltabs vitamin D Haliver Hi-Deratol Hyperkil Infron Metadee Mina D2 Mulsiferol Mykostin Novovitamin-D Oleovitamin D Oleovitamin d, synthetic Oleovitamin D2 Ostelin Radiostol Radstein Radsterin Rodine C Shock-ferol Shock-ferol sterogyl Sorex c.r. Sterogyl Synthetic Vitamin D Uvesterol-D Vigantol VIO-D Viostdrol Viosterol Viosterol in oil Vitamin D Vitamin D2 Vitavel-D EINECS 200-014-9 HSDB 819 NSC 62792
Wiley ID 1367785