| SpectraBase Spectrum ID |
IYtgMJICmNe |
| Name |
16,28-Secosolanid-5-ene-22-d-3,16-diol, 28-acetyl-, diacetate (ester), (3.beta.,16.beta.,22.alpha.,25.beta.)- |
| CAS Registry Number |
72154-71-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H50DNO5 |
| InChI |
InChI=1S/C33H51NO5/c1-19-8-11-29(34(18-19)21(3)35)20(2)31-30(39-23(5)37)17-28-26-10-9-24-16-25(38-22(4)36)12-14-32(24,6)27(26)13-15-33(28,31)7/h9,19-20,25-31H,8,10-18H2,1-7H3/t19?,20-,25+,26-,27+,28+,29?,30+,31+,32+,33+/m1/s1/i29D |
| InChIKey |
MIKZDUSONFWULG-NZIIQCHCSA-N |
| Molecular Weight |
542.779 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(C[C@@]([C@@]1([C@@](C1(N(C(=O)C)CC(CC1)C)[2D])(C)[H])[H])(OC(=O)C)[H])[H])C |
| SPLASH |
splash10-0006-3900170000-118ff18eb1acfad85d55 |
| Source of Spectrum |
B-32-812-0 |
| Synonyms |
(22S,25R)-22,26-acetylepimino(22-2H1)cholest-5-ene-3.beta.,16.beta.-diol diacetate |
| Wiley ID |
1404755 |
