| SpectraBase Spectrum ID |
8FtpcvBlWFl |
| Name |
3.alpha.-Hydroxy-13.alpha.-Ursan-28,12.beta.-olide - 3-Benzoate |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C37H52O4 |
| InChI |
InChI=1S/C37H52O4/c1-22-13-18-37-20-19-36(7)30(29(37)23(22)2)25(40-32(37)39)21-27-34(5)16-15-28(41-31(38)24-11-9-8-10-12-24)33(3,4)26(34)14-17-35(27,36)6/h8-12,22-23,25-30H,13-21H2,1-7H3/t22-,23+,25?,26?,27-,28-,29+,30+,34+,35-,36-,37+/m1/s1 |
| InChIKey |
XBUHCLCBBZQYKL-XMOYJLHYSA-N |
| Molecular Weight |
560.819 g/mol |
| SMILES |
[C@@]12([C@]3([C@]([C@]4(CC[C@](C(C4CC3)(C)C)(OC(=O)c3ccccc3)[H])C)([H])CC3[C@]1([C@@]1([C@]([C@](C)(CC[C@@]1(CC2)C(=O)O3)[H])(C)[H])[H])[H])C)C |
| SPLASH |
splash10-0a4i-0901100000-5aa72e8768d109537e36 |
| Source of Spectrum |
G4-62-892-1 |
| Synonyms |
(1S,4R,5R,10R,13R,14R,17S,18S,19S,20R)-4,5,9,9,13,19,20-heptamethyl-23-oxo-24-oxahexacyclo[14.6.2.0(1,18).0(4,17).0(5,14).0(8,13)]tetracos-10-yl benzoate |
| Wiley ID |
1607889 |
