| SpectraBase Spectrum ID |
LcPor8UpYQO |
| Name |
16,28-Secosolanid-5-ene-3,16-diol, 3-acetate, (3.beta.,16.beta.,22.alpha.,25.beta.)- |
| CAS Registry Number |
24694-69-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H47NO3 |
| InChI |
InChI=1S/C29H47NO3/c1-17-6-9-25(30-16-17)18(2)27-26(32)15-24-22-8-7-20-14-21(33-19(3)31)10-12-28(20,4)23(22)11-13-29(24,27)5/h7,17-18,21-27,30,32H,6,8-16H2,1-5H3/t17-,18-,21+,22-,23+,24+,25+,26+,27+,28+,29+/m1/s1 |
| InChIKey |
IUVFSXZZSXORJP-YYHZQSLSSA-N |
| Molecular Weight |
457.699 g/mol |
| SMILES |
N1C[C@@](CC[C@]1([C@]([C@]1([C@](C[C@@]2([C@@]1(CC[C@@]1([C@@]3(C(=CC[C@@]21[H])C[C@](CC3)(OC(=O)C)[H])C)[H])C)[H])(O)[H])[H])(C)[H])[H])(C)[H] |
| SPLASH |
splash10-0002-9200000000-78eda792ed674ebf954b |
| Source of Spectrum |
B-32-792-0 |
| Synonyms |
(22S,25R)-22,26-epimino-3.beta.-acetoxycholest-5-en-16.beta.-ol
(3beta,16beta,20S)-16-hydroxy-20-[(2S,5R)-5-methylpiperidinyl]pregn-5-en-3-yl acetate
Pregn-5-ene-3.beta.,16.beta.-diol, 20.alpha.-((5R)-5-methyl-2-piperidyl)-, 3-acetate |
| Wiley ID |
1389679 |
