| SpectraBase Spectrum ID |
FkZgjXhSf0J |
| Name |
(1S,2R,3aR,5S,6R,7S,7aS)-2-Acetoxy-1-(1.alpha.-acetoxyethyl)-octahydro-6-hydroxy-4-methylidene-7-[(2S)-2-methyloxiran-2-yl]-1H-inden-5-yl(2E)-3-methylpent-2-enoate |
| Appearance |
Colorless gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H36O8 |
| InChI |
InChI=1S/C25H36O8/c1-8-12(2)9-19(28)33-24-13(3)17-10-18(32-16(6)27)20(14(4)31-15(5)26)21(17)22(23(24)29)25(7)11-30-25/h9,14,17-18,20-24,29H,3,8,10-11H2,1-2,4-7H3/b12-9+/t14-,17+,18+,20+,21+,22+,23-,24+,25-/m1/s1 |
| InChIKey |
QDBZIKDKBOCSPO-OZMBXOTFSA-N |
| Instrument Name |
HP5989A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np300532p |
| Molecular Weight |
464.555 g/mol |
| Optical Rotation |
[a]D22 = +214 (c = 0.3, CHCl3) |
| Reported Formula |
C25H36O8 |
| SMILES |
O[C@]1([C@](C([C@@]2(C[C@@]([C@@]([C@]2([C@@]1([C@]1(CO1)C)[H])[H])([C@@](C)(OC(C)=O)[H])[H])(OC(C)=O)[H])[H])=C)(OC(=O)\C=C\(CC)C)[H])[H] |
| SPLASH |
splash10-0002-9100000000-1c82a5587443516b8611 |
| Source of Spectrum |
G4-76-309-2 |
| Wiley ID |
1854869 |
