| SpectraBase Spectrum ID |
1RCfnkf36CM |
| Name |
(25S)-N-acetyl-3.beta.-acetoxy-5.alpha.,22.beta. N-spirosolane |
| Alternate Name(s) |
(3beta,5alpha,22beta,25beta)-28-acetylspirosolan-3-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H49NO4 |
| InChI |
InChI=1S/C31H49NO4/c1-18-9-14-31(32(17-18)20(3)33)19(2)28-27(36-31)16-26-24-8-7-22-15-23(35-21(4)34)10-12-29(22,5)25(24)11-13-30(26,28)6/h18-19,22-28H,7-17H2,1-6H3/t18-,19-,22-,23-,24?,25?,26?,27?,28?,29-,30-,31+/m0/s1 |
| InChIKey |
XBYGONLLFUVZNC-AWULQJLHSA-N |
| Molecular Weight |
499.736 g/mol |
| SMILES |
[C@]12(N(C(=O)C)C[C@@](C)(CC2)[H])OC2CC3[C@@](C2[C@@]1(C)[H])(CCC1[C@@]2([C@@](C[C@@](OC(=O)C)(CC2)[H])([H])CCC31)C)C |
| SPLASH |
splash10-05o0-3215900000-dad558619e4a1ca78cb8 |
| Source of Spectrum |
B-32-617-0 |
| Wiley ID |
1398743 |
