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6,9-Cyclo-9,10-seco-Ergosta-5(10),7-dien-3-ol
SpectraBase Compound ID 9jaX1mZHCnN
InChI InChI=1S/C28H46O/c1-18(2)19(3)8-9-20(4)26-12-13-27-22(7-6-14-28(26,27)5)16-23-15-21-10-11-24(29)17-25(21)23/h16,18-20,23-24,26-27,29H,6-15,17H2,1-5H3/b22-16+
InChIKey NHLRENXPFNKTHG-CJLVFECKSA-N
Mol Weight 398.7 g/mol
Molecular Formula C28H46O
Exact Mass 398.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ky65BdvHht0
Name 6,9-Cyclo-9,10-seco-Ergosta-5(10),7-dien-3-ol
Alternate Name(s) 6,9-Cyclo-9,10-seco-Ergosta-5(10),7-dien-3.beta.-ol 8-{(E)-[7a-methyl-1-(1,4,5-trimethylhexyl)octahydro-4H-inden-4-ylidene]methyl}bicyclo[4.2.0]oct-1(6)-en-3-ol Vitamin D4-vinylcyclobutene derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O
InChI InChI=1S/C28H46O/c1-18(2)19(3)8-9-20(4)26-12-13-27-22(7-6-14-28(26,27)5)16-23-15-21-10-11-24(29)17-25(21)23/h16,18-20,23-24,26-27,29H,6-15,17H2,1-5H3/b22-16+
InChIKey NHLRENXPFNKTHG-CJLVFECKSA-N
Molecular Weight 398.675 g/mol
SMILES OC1CC=2C(\C=C\3C4C(C(CC4)C(CCC(C(C)C)C)C)(CCC3)C)CC2CC1
SPLASH splash10-00kk-0927000000-bd8c8c3bffd3554c83dc
Source of Spectrum X4-25-346-3
Wiley ID 1586251