| SpectraBase Spectrum ID |
I76ByhLJ87G |
| Name |
16,28-Secosolanid-5-en-16-one, 28-acetyl-3-hydroxy-, (3.beta.,22.alpha.,25.beta.)- |
| CAS Registry Number |
33814-07-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H45NO3 |
| InChI |
InChI=1S/C29H45NO3/c1-17-6-9-25(30(16-17)19(3)31)18(2)27-26(33)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h7,17-18,21-25,27,32H,6,8-16H2,1-5H3/t17-,18-,21+,22-,23+,24+,25+,27+,28+,29+/m1/s1 |
| InChIKey |
PDFDGURKLDHVQW-GMFSBHHFSA-N |
| Molecular Weight |
455.683 g/mol |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC([C@@]4([C@@]([C@]1(N(C(=O)C)C[C@@](CC1)(C)[H])[H])(C)[H])[H])=O)[H])C)[H])C)[H] |
| SPLASH |
splash10-0006-3900000000-2b46a0a43f2a29be4ccf |
| Source of Spectrum |
B-32-793-0 |
| Synonyms |
(22S,25R)-22,26-acetylepimino-3.beta.-hydroxycholest-5-en-16-one
(3beta,20S)-20-[(2S,5R)-1-acetyl-5-methylpiperidinyl]-3-hydroxypregn-5-en-16-one
3-Pipecoline, 1-acetyl-6-(3.beta.-hydroxy-16-oxopregn-5-en-20.alpha.-yl)-, (3R,6S)- |
| Wiley ID |
1389083 |
