| SpectraBase Spectrum ID |
BNB2MQjlxuP |
| Name |
Betulin |
| Alternate Name(s) |
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H50O2 |
| InChI |
InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1 |
| InChIKey |
FVWJYYTZTCVBKE-ROUWMTJPSA-N |
| Molecular Weight |
442.728 g/mol |
| SMILES |
O[C@]1(CC[C@]2([C@@](CC[C@@]3([C@@]2(CC[C@]2([C@]3(CC[C@]3(CO)[C@@]2([C@@](CC3)(C(C)=C)[H])[H])C)[H])[H])C)(C1(C)C)[H])C)[H] |
| SPLASH |
splash10-0gw4-5660900000-d0032ff8f0a6fdfb8510 |
| Source of Spectrum |
QA-52-837-3 |
| Wiley ID |
1796148 |
