| SpectraBase Spectrum ID |
H1qJn0813nh |
| Name |
16,28-Secosolanid-5-en-3-ol, 28-acetyl-, acetate (ester), (3.beta.,22.alpha.,25.beta.)- |
| Alternate Name(s) |
(22S,25R)-22,26-acetylepiminocholest-5-en-3.beta.-yl acetate
(3beta,20S)-20-[(2R,5R)-1-acetyl-5-methylpiperidinyl]pregn-5-en-3-yl acetate |
| CAS Registry Number |
72204-13-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H49NO3 |
| InChI |
InChI=1S/C31H49NO3/c1-19-7-12-29(32(18-19)21(3)33)20(2)26-10-11-27-25-9-8-23-17-24(35-22(4)34)13-15-30(23,5)28(25)14-16-31(26,27)6/h8,19-20,24-29H,7,9-18H2,1-6H3/t19-,20+,24+,25+,26-,27+,28?,29-,30+,31-/m1/s1 |
| InChIKey |
DKJVYTMXBPQIPQ-GXUJSTMESA-N |
| Molecular Weight |
483.737 g/mol |
| SMILES |
[C@@]1(N(C[C@@](CC1)(C)[H])C(=O)C)([C@]([C@@]1([C@@]2([C@@]([C@@]3(CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])([H])CC1)C)[H])(C)[H])[H] |
| SPLASH |
splash10-0006-3900000000-efa739b9736d21b14fb0 |
| Source of Spectrum |
B-32-813-0 |
| Wiley ID |
1395878 |
