| SpectraBase Spectrum ID |
1zd83JOFPhW |
| Name |
Betulin |
| 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 |
| Literature Reference DOI |
10.1002/jccs.200400030 |
| Molecular Weight |
442.728 g/mol |
| SMILES |
OC[C@]12CC[C@]([C@@]1([C@@]1([C@]([C@]3([C@@]([C@]4(CC[C@@](C([C@@]4(CC3)[H])(C)C)(O)[H])C)(CC1)[H])C)(CC2)C)[H])[H])(C(=C)C)[H] |
| SPLASH |
splash10-0a4r-9840200000-79ec86182123919424ab |
| Source of Spectrum |
QA-51-203-6 |
| Synonyms |
(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 |
| Wiley ID |
1795889 |
