| SpectraBase Spectrum ID |
G5ullHY6jkW |
| Name |
rel-(2R,5R,6R,8S,9S,10R,18S,19R)-2,18,19-triacetoxy-18,19-epoxy-6-hydroxycleroda-3,13(16),14-triene |
| Alternate Name(s) |
Casearlucin B |
| Appearance |
viscous oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H38O8 |
| InChI |
InChI=1S/C27H38O8/c1-9-15(2)10-11-26(7)16(3)12-23(31-8)27-21(13-20(14-22(26)27)32-17(4)28)24(33-18(5)29)35-25(27)34-19(6)30/h9,13,16,20,22-25H,1-2,10-12,14H2,3-8H3/t16-,20+,22+,23+,24+,25-,26-,27-/m0/s1 |
| InChIKey |
BZVDIOLNPIHYMD-HHQTVXSWSA-N |
| Instrument Name |
JEOL HX-110 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np010405c |
| Molecular Weight |
490.593 g/mol |
| Optical Rotation |
[a]D = +31.0 (c = 0.22, MeOH) |
| Reported Formula |
C27H38O8 |
| SMILES |
[C@]1(C[C@]2([C@@]3(C(=C1)[C@@](O[C@@]3(OC(C)=O)[H])(OC(C)=O)[H])[C@@](C[C@@]([C@]2(C)CCC(=C)C=C)(C)[H])(OC)[H])[H])(OC(C)=O)[H] |
| SPLASH |
splash10-052r-9212200000-d83d4434d0edd622afdc |
| Source of Spectrum |
G4-65-106-2 |
| Wiley ID |
1881017 |
