SpectraBase Spectrum ID |
D2iHgULqDb9 |
Name |
(12S)-15,16-Epoxy-12-hydroxylabda-7,13(16),14-triene |
Appearance |
oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C20H30O2 |
InChI |
InChI=1S/C20H30O2/c1-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17(21)15-8-11-22-13-15/h6,8,11,13,16-18,21H,5,7,9-10,12H2,1-4H3/t16-,17-,18-,20+/m0/s1 |
InChIKey |
KFBPDAGBYLQWMU-CGBFIWBNSA-N |
Instrument Name |
Hewlett-Packard HP 5989A |
Ionization Type |
EI positive ion |
Literature Reference DOI |
10.1021/np010590u |
Molecular Weight |
302.458 g/mol |
Optical Rotation |
[a]D21 = -18.6 (c = 0.200, CHCl3) |
SMILES |
O[C@@](C[C@]1(C(=CC[C@]2(C(CCC[C@]12C)(C)C)[H])C)[H])(c1cocc1)[H] |
SPLASH |
splash10-07be-9610000000-b50d1a9b5246973778d8 |
Source of Spectrum |
G4-65-666-16 |
Wiley ID |
1883646 |