| SpectraBase Spectrum ID |
9vM3Ssjq75i |
| Name |
16,28-Secosolanid-5-en-16-one, 28-acetyl-3-(acetyloxy)-, (3.beta.,22.alpha.,25.beta.)- |
| CAS Registry Number |
72274-98-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H47NO4 |
| InChI |
InChI=1S/C31H47NO4/c1-18-7-10-27(32(17-18)20(3)33)19(2)29-28(35)16-26-24-9-8-22-15-23(36-21(4)34)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-27,29H,7,9-17H2,1-6H3/t18-,19-,23+,24-,25+,26+,27+,29+,30+,31+/m1/s1 |
| InChIKey |
GJDZRKZASRMYHV-NKQRKAGZSA-N |
| Molecular Weight |
497.720 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC([C@@]1([C@@]([C@]1(N(C(=O)C)C[C@@](CC1)(C)[H])[H])(C)[H])[H])=O)[H])C |
| SPLASH |
splash10-0002-9500200000-e4012fffeb4f5feb5774 |
| Source of Spectrum |
B-32-792-0 |
| Synonyms |
(22S,25R)-22,26-acetylepimino-3.beta.-acetoxycholest-5-en-16-one
(3beta,20S)-20-[(2S,5R)-1-acetyl-5-methylpiperidinyl]-16-oxopregn-5-en-3-yl acetate |
| Wiley ID |
1398439 |
