| SpectraBase Spectrum ID |
CutJwxhMwng |
| Name |
(2'a,3a'a,4'a,7'a,7a'a)-4-(4',7'-dimethoxy-3a',4',7',7a'-tetrahydro-1',3'-benzodioxol-2'-yl)-2,2-dimethyl-2,3,6,11-tetrahydroanthra[1,2-b]furan-6,11-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H28O8 |
| InChI |
InChI=1S/C28H28O8/c1-28(2)12-15-18(27-34-24-16(31-3)10-11-17(32-4)25(24)35-27)26(33-5)20-19(23(15)36-28)21(29)13-8-6-7-9-14(13)22(20)30/h6-11,16-17,24-25,27H,12H2,1-5H3/t16-,17+,24+,25-,27- |
| InChIKey |
QCBXEFGHUDBJRE-OAJDSYEHSA-N |
| Molecular Weight |
492.524 g/mol |
| SMILES |
c12c(C(=O)c3c(C2=O)cccc3)c(OC)c(c2c1OC(C)(C)C2)[C@]1(O[C@@]2([C@](C=C[C@]([C@@]2(O1)[H])(OC)[H])(OC)[H])[H])[H] |
| SPLASH |
splash10-0006-0003900000-294df85e40e80a0d9ec3 |
| Source of Spectrum |
B-46-37-0 |
| Wiley ID |
1397583 |
