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9,10-Secoergosta-5,7,22-trien-3-ol, (3.beta.,5E,7E,10.alpha.,22E)-
SpectraBase Compound ID LDEDaPVKsOb
InChI InChI=1S/C28H46O/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/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+
InChIKey ILYCWAKSDCYMBB-ZJGOHBTISA-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 4GwZNfzeim
Name 9,10-Secoergosta-5,7,22-trien-3-ol, (3.beta.,5E,7E,10.alpha.,22E)-
Alternate Name(s) (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-methyl-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-methyl-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-methyl-cyclohexanol 9,10-Secoergosta-5,7,22-trien-3-ol, (3beta,5E,7E,10alpha,22E)- 9,10-Secoergosta-5,7,22-trien-3.beta.-ol A.T. 10 Anti-tetany substance 10 Antitanil Calcamine DHT(SUB 2) DHT2 Dichysterol Dichystrolum Dihidrotaquisterol Dihydral Dihydrotachysterol Dihydrotachysterol(sub 2) Dihydrotachysterol2 Dihydrotachysterolum Diidrotachisterolo Dygratyl Hytakerol Parterol Tachyrol Tachysterol 2, dihydro- Tachysterol, dihydro- Tachystin AT 10 EINECS 200-672-7 HSDB 3314
CAS Registry Number 67-96-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O
InChI InChI=1S/C28H46O/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/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+
InChIKey ILYCWAKSDCYMBB-ZJGOHBTISA-N
Molecular Weight 398.675 g/mol
SMILES OC1C\C(=C/C=C/2C3CCC(C(\C=C\C(C(C)C)C)C)C3(CCC2)C)C(CC1)C
SPLASH splash10-0abj-6941000000-54dfc6f0faec19a7efdd
Source of Spectrum D-9-1654-1
Wiley ID 1368742