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

*Links on SpectraBase are not permalinks.
(25R)-25-(1-Adamantyl)-1a,25-dihydroxy-2-methylidene-23,23,24,24-tetradehydro-19,26,27-trinorvitamin D3
SpectraBase Compound ID Bv96ippFpKF
InChI InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-25-14-26(20-35)16-27(15-25)21-35)29-11-12-30-28(7-5-13-34(29,30)3)10-9-24-17-31(36)23(2)32(37)18-24/h9-10,22,25-27,29-33,36-38H,2,5-7,11-21H2,1,3H3/b28-10+/t22-,25-,26+,27-,29-,30+,31-,32-,33+,34-,35-/m1/s1
InChIKey RDOXAQMJPJCGHT-TXZJOSHVSA-N
Mol Weight 518.8 g/mol
Molecular Formula C35H50O3
Exact Mass 518.375995 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 DG3oBZz8DxV
Name (25R)-25-(1-Adamantyl)-1a,25-dihydroxy-2-methylidene-23,23,24,24-tetradehydro-19,26,27-trinorvitamin D3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H50O3
InChI InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-25-14-26(20-35)16-27(15-25)21-35)29-11-12-30-28(7-5-13-34(29,30)3)10-9-24-17-31(36)23(2)32(37)18-24/h9-10,22,25-27,29-33,36-38H,2,5-7,11-21H2,1,3H3/b28-10+/t22-,25-,26+,27-,29-,30+,31-,32-,33+,34-,35-/m1/s1
InChIKey RDOXAQMJPJCGHT-TXZJOSHVSA-N
Instrument Name Shimazu GCMS QP-2010 PLUS
Ionization Type EI
Literature Reference DOI 10.1021/jm401989c
Molecular Weight 518.782 g/mol
Reported Formula C35H50O3
SMILES O[C@]1(C([C@@](CC(=C\C=C\2CCC[C@]3([C@]2(CC[C@@]3([C@@](CC#C[C@@](C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])(O)[H])(C)[H])[H])[H])C)C1)(O)[H])=C)[H]
SPLASH splash10-000i-4901000000-5526c61c175460ad7bf5
Source of Spectrum AF-57-4083-4a
Wiley ID 1854675