| SpectraBase Spectrum ID |
2iInEngVLk |
| Name |
Olean-12-en-28-oic acid, 23-hydroxy-3-oxo-, methyl ester, (4.beta.)- |
| CAS Registry Number |
59157-87-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H48O4 |
| InChI |
InChI=1S/C31H48O4/c1-26(2)14-16-31(25(34)35-7)17-15-29(5)20(21(31)18-26)8-9-23-27(3)12-11-24(33)28(4,19-32)22(27)10-13-30(23,29)6/h8,21-23,32H,9-19H2,1-7H3/t21-,22?,23-,27+,28?,29-,30-,31+/m1/s1 |
| InChIKey |
SCNJKSGGJJIVNC-GIHJQOMESA-N |
| Molecular Weight |
484.721 g/mol |
| SMILES |
OCC1(C2CC[C@]3([C@]4(C([C@]5(CC(C)(C)CC[C@@]5(CC4)C(=O)OC)[H])=CC[C@@]3([C@]2(CCC1=O)C)[H])C)C)C |
| SPLASH |
splash10-0w29-0390300000-73277ed1cfe488d2706b |
| Source of Spectrum |
B-29-667-0 |
| Synonyms |
Methyl (18alpha)-23-hydroxy-3-oxoolean-12-en-28-oate
Methyl 24-hydroxy-3-oxoolean-12-en-28-oate |
| Wiley ID |
1396130 |
