SpectraBase Spectrum ID |
1MdbQ8Fcem |
Name |
5.alpha.-Cholest-2-eno[2,3-d]pyrimidine |
Alternate Name(s) |
(3aS,3bR,5aS,11aS,11bS,13aR)-1-[(1R)-1,5-dimethylhexyl]-11a,13a-dimethyl-2,3,3a,3b,4,5,5a,6,11,11a,11b,12,13,13a-tetradecahydro-1H-cyclopenta[5,6]naphtho[2,1-g]quinazoline |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C29H46N2 |
InChI |
InChI=1S/C29H46N2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-22-15-21-17-30-18-31-27(21)16-29(22,5)26(23)13-14-28(24,25)4/h17-20,22-26H,6-16H2,1-5H3/t20-,22+,23+,24?,25+,26+,28-,29+/m1/s1 |
InChIKey |
NAFPGIFFGKUPQS-NSXOXAOXSA-N |
Molecular Weight |
422.701 g/mol |
SMILES |
[C@@]12([C@@]3([C@@]([C@@]4(CCC([C@]4(CC3)C)[C@@](CCCC(C)C)(C)[H])[H])([H])CC[C@]2(Cc2cncnc2C1)[H])[H])C |
SPLASH |
splash10-00xu-5071900000-0d912bf7fb331ae03a31 |
Source of Spectrum |
U-1995-895-12 |
Wiley ID |
766874 |