| SpectraBase Spectrum ID |
BYvXLCAcYms |
| Name |
Methyl betulinate |
| Alternate Name(s) |
Methyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-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 |
C31H50O3 |
| InChI |
InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1 |
| InChIKey |
XNZIMRUZBOZIBC-JVRMVBBZSA-N |
| Molecular Weight |
470.738 g/mol |
| SMILES |
O[C@@]1(C([C@@]2(CC[C@]3([C@@]4(CC[C@]5(C(=O)OC)[C@]([C@]4(CC[C@@]3([C@]2(CC1)C)[H])[H])([H])[C@](C(C)=C)(CC5)[H])C)C)[H])(C)C)[H] |
| SPLASH |
splash10-06y9-0590300000-6b0c6e1fb6f2d9493093 |
| Source of Spectrum |
QA-32-175-IV |
| Wiley ID |
1794947 |
