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20-epi-4.beta.-hydroxyverazine
SpectraBase Compound ID KADnfeCSKRU
InChI InChI=1S/C27H43NO2/c1-16-5-10-23(28-15-16)17(2)19-8-9-20-18-6-7-22-25(30)24(29)12-14-27(22,4)21(18)11-13-26(19,20)3/h7,16-21,24-25,29-30H,5-6,8-15H2,1-4H3/t16-,17+,18-,19?,20?,21?,24-,25?,26+,27+/m0/s1
InChIKey BLVNKXGGFFUMSS-WKFYPQROSA-N
Mol Weight 413.6 g/mol
Molecular Formula C27H43NO2
Exact Mass 413.32938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QD8rDXCeuM
Name 20-epi-4.beta.-hydroxyverazine
Alternate Name(s) (20R)-22,26-Iminocholesta-5,22-diene-3,4-diol (3beta,20R)-20-[(5S)-5-methyl-3,4,5,6-tetrahydro-2-pyridinyl]pregn-5-ene-3,4-diol
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Formula C27H43NO2
InChI InChI=1S/C27H43NO2/c1-16-5-10-23(28-15-16)17(2)19-8-9-20-18-6-7-22-25(30)24(29)12-14-27(22,4)21(18)11-13-26(19,20)3/h7,16-21,24-25,29-30H,5-6,8-15H2,1-4H3/t16-,17+,18-,19?,20?,21?,24-,25?,26+,27+/m0/s1
InChIKey BLVNKXGGFFUMSS-WKFYPQROSA-N
Molecular Weight 413.646 g/mol
SMILES OC1C=2[C@](CC[C@@]1(O)[H])(C1CC[C@@]3(C(CCC3[C@@]1(CC2)[H])[C@](C1=NC[C@](CC1)(C)[H])(C)[H])C)C
SPLASH splash10-01t9-4901000000-55f07a25d7166a5f1a32
Source of Spectrum G4-61-1207-5
Wiley ID 1607425