| SpectraBase Spectrum ID |
7ay6dyVm4fK |
| Name |
ent-Labda-8(17),12Z,14-triene-2.alpha.,3.beta.-dibenzoate |
| Appearance |
Amorphous white powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H40O4 |
| InChI |
InChI=1S/C34H40O4/c1-7-23(2)18-20-27-24(3)19-21-29-33(4,5)30(38-32(36)26-16-12-9-13-17-26)28(22-34(27,29)6)37-31(35)25-14-10-8-11-15-25/h7-18,27-30H,1,3,19-22H2,2,4-6H3/b23-18-/t27-,28+,29-,30-,34+/m1/s1 |
| InChIKey |
VLAQSVREBSXOKQ-NIZQPAIASA-N |
| Instrument Name |
Hewlett-Packard 5973 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1021/np030490j |
| Molecular Weight |
512.690 g/mol |
| Optical Rotation |
[a]D19 = +28.2 (c = 0.305, CHCl3) |
| SMILES |
[C@]1(OC(c2ccccc2)=O)([C@](C([C@@]2([C@@]([C@@](C(CC2)=C)(C\C=C/(C=C)C)[H])(C)C1)[H])(C)C)(OC(=O)c1ccccc1)[H])[H] |
| SPLASH |
splash10-0a4i-0900000000-89d08fc83e1416a4b729 |
| Source of Spectrum |
G4-67-619-16 |
| Wiley ID |
1881741 |
