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(5E)-5-[(2Z)-2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol

View entire compound with spectra: 3 MS (GC)

(5E)-5-[(2Z)-2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
SpectraBase Compound ID 5Xr312w6arZ
InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10-,21-11+
InChIKey GMRQFYUYWCNGIN-NGHQTVFFSA-N
Mol Weight 416.6 g/mol
Molecular Formula C27H44O3
Exact Mass 416.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7OcmMSFL3n8
Name (5E)-5-[(2Z)-2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
CAS Registry Number 32511-63-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O3
InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10-,21-11+
InChIKey GMRQFYUYWCNGIN-NGHQTVFFSA-N
Molecular Weight 416.646 g/mol
SMILES OC1CC(C\C(C1=C)=C\C=C/1C2C(C(CC2)C(CCCC(O)(C)C)C)(CCC1)C)O
SPLASH splash10-0a59-6900000000-eafbec560c933e09f479
Source of Spectrum D-10-2802-6
Synonyms (5E,7Z)-9,10-Secocholesta-5,7,10-triene-1,3,25-triol (5E)-5-[(2Z)-2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol (5E)-5-[(2Z)-2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol (5E)-5-[(2Z)-2-[7a-methyl-1-(6-methyl-6-oxidanyl-heptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, (3.beta.,5Z,7E)- (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1-alpha,3-beta,25-triol (5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-1.alpha.,3.beta.,25-triol 1,25-(OH)2D3 1,25-DHCC 1,25-Dihydroxycholecalciferol 1,25-Dihydroxycholecaliferol 1,25-Dihydroxyvitamin D 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, (1.alpha.,3.beta.,5Z,7E)- 1,25-Dihydroxyvitamin D3 1-alpha,-1,25-dihydroxyvitamin D3 1-alpha,25-dihydroxycholecalciferol 1-alpha,25-dihydroxyvitamin D3 1.alpha.,25-Dihydroxycholecalciferol 1a,25-Dihydroxycholecalciferol 1alpha,25-dihydroxyvitamin D 9,10-Sechocholesta-5,7,10(19)-triene-1,3,25-tiol, (3beta,5Z,7E)- 9,10-seco(5Z,7E)-5,7,10(19)-cholestatriene-1alpha,3beta,25-triol 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, (1alpha,3beta,5Z,7E)- 9,10-Secocholesta-5,7,10(19)-triene-1,3.beta.,25-triol Calcijex Calcitriol Calcitriolum Cholecalciferol, 1-alpha,25-dihydroxy- Dihydroxyvitamin D3 DN-101 Rocaltrol Soltriol Topitriol Toptriol CCRIS 5522 EINECS 250-963-8 HSDB 3482 RO 21-5535 Ro 21-5535 U 49562
Wiley ID 1376600