| SpectraBase Spectrum ID |
IjzrmB4d8WO |
| Name |
Ursoxy acid |
| Alternate Name(s) |
(1S,2S,6S,7S,8R,11S,14S,15R,20S)-20-methoxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.0(1,18).0(2,15).0(5,14).0(6,11)]tetracos-4-ene-11-carboxylic acid
3,25-Epoxy-3a-methoxy-urs-12-en-28-oic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H48O4 |
| InChI |
InChI=1S/C31H48O4/c1-19-10-13-29(25(32)33)15-14-27(5)21(24(29)20(19)2)8-9-23-28(27,6)12-11-22-26(3,4)31(34-7)17-16-30(22,23)18-35-31/h8,19-20,22-24H,9-18H2,1-7H3,(H,32,33)/t19-,20+,22?,23+,24+,27-,28-,29+,30-,31+/m1/s1 |
| InChIKey |
AWNJFQYALWSXQG-BOHXTJNFSA-N |
| Molecular Weight |
484.721 g/mol |
| SMILES |
OC([C@]12[C@](C=3[C@]([C@@]4(CCC5[C@]6([C@]4(CC3)[H])CO[C@](CC6)(OC)C5(C)C)C)(CC1)C)([C@]([C@@](CC2)(C)[H])(C)[H])[H])=O |
| SPLASH |
splash10-0gc1-3690400000-4ee5f2327c10a51ec301 |
| Source of Spectrum |
H-85-2340-1 |
| Wiley ID |
1524666 |
