| SpectraBase Spectrum ID |
9y9vWzmOzgr |
| Name |
(1R,2S,5S,6R,9S,10S,12S,13R)-5,9-dimethyl-5-{[(2Z)-2-methylbut-2-enoyl]oxy}-14-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.0.0(2,6).0(10,12)]tetradecan-13-yl 3-methylbut-2-enoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H32O7 |
| InChI |
InChI=1S/C25H32O7/c1-8-13(4)22(27)32-25(7)15-9-10-24(6)17(19(15)31-23(25)28)14(5)18(20-21(24)30-20)29-16(26)11-12(2)3/h8,11,15,17-21H,5,9-10H2,1-4,6-7H3/b13-8-/t15-,17+,18-,19-,20-,21-,24+,25+/m1/s1 |
| InChIKey |
XCHYBCREYSKJSN-IYDXDOCESA-N |
| Instrument Name |
JOEL AX505 W |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0603065 |
| Molecular Weight |
444.524 g/mol |
| Optical Rotation |
[a]D20 = -6.1 (c = 0.18, CHCl3) |
| Reported Formula |
C25H32O7 |
| SMILES |
[C@]12([C@]([C@@]3([C@@]([C@]4([C@@](CC3)([C@](OC(=O)\C(C)=C/C)(C(=O)O4)C)[H])[H])([H])C([C@]2(OC(=O)C=C(C)C)[H])=C)C)(O1)[H])[H] |
| SPLASH |
splash10-001i-9010000000-0c7fa23ea4535fda5997 |
| Source of Spectrum |
G4-69-1570-7 |
| Wiley ID |
1873990 |
