| SpectraBase Spectrum ID |
Fdb5kZg8iJZ |
| Name |
16,28-Secosolanid-22-ene-3,16-diol, 28-methyl-, (3.beta.,5.alpha.,16.alpha.)- |
| CAS Registry Number |
71609-92-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H47NO2 |
| InChI |
InChI=1S/C28H47NO2/c1-17-6-9-24(29(5)16-17)18(2)26-25(31)15-23-21-8-7-19-14-20(30)10-12-27(19,3)22(21)11-13-28(23,26)4/h9,17-23,25-26,30-31H,6-8,10-16H2,1-5H3/t17-,18+,19-,20-,21+,22-,23-,25+,26-,27-,28-/m0/s1 |
| InChIKey |
DSDQZJLAMBHSMB-KVDUUEBNSA-N |
| Molecular Weight |
429.689 g/mol |
| SMILES |
O[C@]1(CC[C@]2([C@@](CC[C@]3([C@]4([C@@]([C@]([C@@](C4)(O)[H])([C@@](C=4N(C[C@](CC4)(C)[H])C)(C)[H])[H])(CC[C@]23[H])C)[H])[H])(C1)[H])C)[H] |
| SPLASH |
splash10-03dr-0900000000-b655e4c79c74960a5bb9 |
| Source of Spectrum |
B-32-606-0 |
| Synonyms |
(25S)-22,26-(N-methylepimino)-5.alpha.-cholest-22-ene-3.beta.,16.alpha.-diol
(3beta,5alpha,16alpha,20S)-20-[(5S)-1,5-dimethyl-1,4,5,6-tetrahydro-2-pyridinyl]pregnane-3,16-diol |
| Wiley ID |
1381257 |
