| SpectraBase Spectrum ID |
5Y72BDXYDGu |
| Name |
Triacetyl-Arjunolic Acid - Methyl Ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C37H56O8 |
| InChI |
InChI=1S/C37H56O8/c1-22(38)43-21-34(7)28-13-14-36(9)29(33(28,6)20-27(44-23(2)39)30(34)45-24(3)40)12-11-25-26-19-32(4,5)15-17-37(26,31(41)42-10)18-16-35(25,36)8/h11,26-30H,12-21H2,1-10H3/t26-,27-,28?,29-,30+,33+,34-,35-,36-,37+/m1/s1 |
| InChIKey |
DJMUBVMFYRJRMK-WHSCIWEXSA-N |
| Molecular Weight |
628.847 g/mol |
| SMILES |
[C@@]12(C([C@](COC(=O)C)(C)[C@]([C@@](C2)(OC(=O)C)[H])(OC(=O)C)[H])CC[C@]2([C@@]3(CC[C@@]4([C@@](C3=CC[C@]12[H])(CC(CC4)(C)C)[H])C(=O)OC)C)C)C |
| SPLASH |
splash10-0ik9-0090011000-509c2b3ca7cb3e2b728b |
| Source of Spectrum |
X2-52-881-4 |
| Synonyms |
(2alpha,3beta,4alpha,18alpha)-2,23-bis(acetyloxy)-28-methoxy-28-oxoolean-12-en-3-yl acetate
Methyl 2.alpha.,3.beta.,23-Triacetoxyolean-12-en-28-oate |
| Wiley ID |
1603228 |
