| SpectraBase Spectrum ID |
BTO2EJElejq |
| Name |
16,28-Secosolanid-5-en-3-ol, (3.beta.,22.alpha.,25.beta.)- |
| Alternate Name(s) |
(22S,25R)-22,26-epiminocholest-5-en-3.beta.-ol
(3beta,20S)-20-[(2S,5R)-5-methylpiperidinyl]pregn-5-en-3-ol
Dihydroisoverazine A |
| CAS Registry Number |
57760-69-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H45NO |
| InChI |
InChI=1S/C27H45NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,28-29H,5,7-16H2,1-4H3/t17-,18+,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1 |
| InChIKey |
SWTXHUUBYZNDAJ-QDKHZERXSA-N |
| Molecular Weight |
399.663 g/mol |
| SMILES |
O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@@]([C@]5(NC[C@@](CC5)(C)[H])[H])(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH |
splash10-0002-9000000000-72505fb12e981be943d3 |
| Source of Spectrum |
B-32-813-0 |
| Wiley ID |
1369127 |
