| SpectraBase Spectrum ID |
9DUCcoDPY2Q |
| Name |
(6aR,9S,10aR)-3-[1-(5-Bromopentyl)cyclobutyl]-6a,7,8,9,10, 10a-hexahydro-6,6-dimethyl-6H-dibenzo[b,d]pyran-1,9 diol |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H35BrO3 |
| InChI |
InChI=1S/C24H35BrO3/c1-23(2)19-8-7-17(26)15-18(19)22-20(27)13-16(14-21(22)28-23)24(10-6-11-24)9-4-3-5-12-25/h13-14,17-19,26-27H,3-12,15H2,1-2H3/t17-,18+,19+/m0/s1 |
| InChIKey |
CYVNIVQCBPNSMZ-IPMKNSEASA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm100641g |
| Molecular Weight |
451.445 g/mol |
| SMILES |
Oc1c2[C@]3([C@@](CC[C@@](C3)(O)[H])(C(Oc2cc(c1)C1(CCCCCBr)CCC1)(C)C)[H])[H] |
| SPLASH |
splash10-0w90-6406900000-67d5b86f19ad19a186c1 |
| Source of Spectrum |
AF-53-7008-24 |
| Thin-Layer Chromatography |
Rf = 0.30 (AcOEt/hexane, 3:97) |
| Wiley ID |
1846294 |
![(6aR,9S,10aR)-3-[1-(5-Bromopentyl)cyclobutyl]-6a,7,8,9,10, 10a-hexahydro-6,6-dimethyl-6H-dibenzo[b,d]pyran-1,9 diol](/api/spectrum/9DUCcoDPY2Q/structure.png?h=300&w=458 "(6aR,9S,10aR)-3-[1-(5-Bromopentyl)cyclobutyl]-6a,7,8,9,10, 10a-hexahydro-6,6-dimethyl-6H-dibenzo[b,d]pyran-1,9 diol")
