| SpectraBase Spectrum ID |
9F6Zi8WaMJQ |
| Name |
16,28-Secosolanid-22(28)-en-16-ol, 3-amino-, acetate (ester), (3.beta.,5.alpha.,16.alpha.)- |
| CAS Registry Number |
71609-96-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H48N2O2 |
| InChI |
InChI=1S/C29H48N2O2/c1-17-6-9-25(31-16-17)18(2)27-26(33-19(3)32)15-24-22-8-7-20-14-21(30)10-12-28(20,4)23(22)11-13-29(24,27)5/h17-18,20-24,26-27H,6-16,30H2,1-5H3/t17-,18+,20-,21-,22+,23?,24-,26+,27-,28-,29-/m0/s1 |
| InChIKey |
VUHYGQHWIMSBRB-VEYVDFJWSA-N |
| Molecular Weight |
456.715 g/mol |
| SMILES |
N[C@]1(CC[C@@]2(C3CC[C@]4([C@]([C@@]3(CC[C@]2(C1)[H])[H])(C[C@]([C@@]4([C@@](C1=NC[C@](CC1)(C)[H])(C)[H])[H])(OC(=O)C)[H])[H])C)C)[H] |
| SPLASH |
splash10-03dj-1905800000-476e80558d4ffee47f8f |
| Source of Spectrum |
B-32-609-0 |
| Synonyms |
(25S)-3.beta.-amino-22,26-epimino-5.alpha.-cholest-22(N)-en-16.alpha.-yl acetate
(3beta,5alpha,16alpha,20S)-3-amino-20-[(5S)-5-methyl-3,4,5,6-tetrahydro-2-pyridinyl]pregnan-16-yl acetate
O-acetylsolacallinidine |
| Wiley ID |
1389443 |
