| SpectraBase Spectrum ID |
C8X9HDVcKWH |
| Name |
16,28-Secosolanid-5-ene-22-d-3,16-diol, (3.beta.,16.beta.,22.alpha.,25.beta.)- |
| Alternate Name(s) |
(22S,25R)-22,26-epimino(22-2H1)cholest-5-ene-3.beta.,16.beta.-diol |
| CAS Registry Number |
72154-70-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44DNO2 |
| InChI |
InChI=1S/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16?,17-,19+,20-,21+,22+,23?,24+,25+,26+,27+/m1/s1/i23D |
| InChIKey |
IRRHFODGOMSPEE-UCJYRPRHSA-N |
| Molecular Weight |
416.668 g/mol |
| SMILES |
O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@]([C@](C4)(O)[H])([C@@](C4(NCC(CC4)C)[2D])(C)[H])[H])(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH |
splash10-0002-9200000000-21430a8af58877a7119b |
| Source of Spectrum |
B-32-811-0 |
| Wiley ID |
1376091 |
