| SpectraBase Spectrum ID |
8Vgq11tIwha |
| Name |
16,28-Secosolanid-22(28)-ene-3,16-diol, diacetate (ester), (3.beta.,5.alpha.,16.alpha.)- |
| CAS Registry Number |
36227-22-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H49NO4 |
| InChI |
InChI=1S/C31H49NO4/c1-18-7-10-27(32-17-18)19(2)29-28(36-21(4)34)16-26-24-9-8-22-15-23(35-20(3)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h18-19,22-26,28-29H,7-17H2,1-6H3/t18-,19+,22-,23-,24+,25-,26-,28-,29-,30-,31-/m0/s1 |
| InChIKey |
AVFPEFZPKZCVMP-PSBTVZOFSA-N |
| Molecular Weight |
499.736 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(C[C@@]([C@@]1([C@@](C1=NC[C@](CC1)(C)[H])(C)[H])[H])(OC(=O)C)[H])[H])C |
| SPLASH |
splash10-03dr-0900800000-2017481ef6158425603a |
| Source of Spectrum |
B-32-605-0 |
| Synonyms |
(25S)-22,26-epimino-5.alpha.-cholest-22(n)-ene-3.beta.,16.alpha.-diol diacetate
(3beta,5alpha,16beta,20S)-16-(acetyloxy)-20-[(5S)-5-methyl-3,4,5,6-tetrahydro-2-pyridinyl]pregnan-3-yl acetate |
| Wiley ID |
1398744 |
