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25-ISOVERAZINE=(25R)-22,26-EPIMINOCHOLESTA-5,22(N)-DIEN-3-BETA-OL
SpectraBase Compound ID EuVH0302HkQ
InChI InChI=1S/C27H43NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,29H,5,7-16H2,1-4H3/t17-,18+,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey VRBNGKPRTHBEIQ-DDMWTQRYSA-N
Mol Weight 397.6 g/mol
Molecular Formula C27H43NO
Exact Mass 397.334465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFzL8DCKqlM
Name 16,28-Secosolanida-5,22(28)-dien-3-ol, (3.beta.,25.beta.)-
CAS Registry Number 984-83-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H43NO
InChI InChI=1S/C27H43NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,29H,5,7-16H2,1-4H3/t17-,18+,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey VRBNGKPRTHBEIQ-DDMWTQRYSA-N
Molecular Weight 397.647 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](C1=NC[C@@](CC1)(C)[H])(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-01t9-0902000000-ebd01209ab8386133b42
Source of Spectrum B-32-814-0
Synonyms (25R)-22,26-Epemenocholesta-5,22(n)-dien-3.beta.-ol (3beta,20S)-20-[(5R)-5-methyl-3,4,5,6-tetrahydro-2-pyridinyl]pregn-5-en-3-ol 25-Isoverazine Isoverazine
Wiley ID 1368091