| SpectraBase Spectrum ID |
4r97NOroN8p |
| Name |
Acetyl methyl betulinate |
| Alternate Name(s) |
Methyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetoxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H52O4 |
| InChI |
InChI=1S/C33H52O4/c1-20(2)22-12-17-33(28(35)36-9)19-18-31(7)23(27(22)33)10-11-25-30(6)15-14-26(37-21(3)34)29(4,5)24(30)13-16-32(25,31)8/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,30-,31+,32+,33-/m0/s1 |
| InChIKey |
FBSVHROTXUJUHS-ODLWIBRJSA-N |
| Literature Reference DOI |
10.1002/pca.981 |
| Molecular Weight |
512.775 g/mol |
| SMILES |
C1(C)(C)[C@](CC[C@@]2([C@]3(CC[C@@]4([C@]5([C@@](CC[C@@]5(CC[C@]4([C@@]3(CC[C@@]12[H])C)C)C(=O)OC)(C(=C)C)[H])[H])[H])[H])C)(OC(C)=O)[H] |
| SPLASH |
splash10-000i-5940000000-9428b76c0d7cf124183f |
| Source of Spectrum |
PA-18-295-17 |
| Wiley ID |
1789530 |
