| SpectraBase Spectrum ID |
DSS3tCmYTqI |
| Name |
Vobasan-17-oic acid, 3-hydroxy-, methyl ester, (3.beta.)- |
| CAS Registry Number |
7168-77-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26N2O3 |
| InChI |
InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17-19,22,24H,9-11H2,1-3H3/b12-4-/t14-,17-,18?,19?/m1/s1 |
| InChIKey |
HZRZXZZTSRUSLH-PNZJSRMCSA-N |
| Molecular Weight |
354.450 g/mol |
| SMILES |
[nH]1c2c(c3C[C@@]4(C([C@](CC(c13)O)(\C(CN4C)=C/C)[H])C(=O)OC)[H])cccc2 |
| SPLASH |
splash10-0089-0901000000-5944189e8397d710e881 |
| Source of Spectrum |
X2-48-417-8 |
| Synonyms |
Methyl (19trans)-3-hydroxyvobasan-17-oate
Vobasinol |
| Wiley ID |
1601705 |
