| SpectraBase Spectrum ID |
53c1NnzWhXF |
| Name |
Cymobarbatol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20Br2O2 |
| InChI |
InChI=1S/C16H20Br2O2/c1-15(2)13-7-9-6-11(19)10(17)8-12(9)20-16(13,3)5-4-14(15)18/h6,8,13-14,19H,4-5,7H2,1-3H3/t13-,14-,16+/m0/s1 |
| InChIKey |
ALTFOIOEOXFNOO-OFQRWUPVSA-N |
| Molecular Weight |
404.142 g/mol |
| SMILES |
Oc1c(cc2O[C@]3([C@](C(C)(C)[C@](CC3)(Br)[H])(Cc2c1)[H])C)Br |
| SPLASH |
splash10-0udi-0373900000-82114192b5a59612aada |
| Source of Spectrum |
X2-52-1094-3 |
| Synonyms |
(7S,8aS,10aR)-3,7-bis(bromanyl)-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol |
| Wiley ID |
1603276 |
