| SpectraBase Spectrum ID |
CnQaSkG6mf2 |
| Name |
Laevigatlactone A |
| Appearance |
Colorless prisms |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H30O3 |
| InChI |
InChI=1S/C20H30O3/c1-15(2)20-12-10-17(18(21)23-20)9-5-7-16(3)8-6-11-19(4,22)13-14-20/h8-9,13-15,22H,5-7,10-12H2,1-4H3/b14-13+,16-8+,17-9+/t19-,20+/m1/s1 |
| InChIKey |
GZRPXVDWKSUPJN-OBGGUUELSA-N |
| Instrument Name |
GCMS-QP 2010 Shimadzu |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np100044t |
| Molecular Weight |
318.457 g/mol |
| Optical Rotation |
[a]D25 = -4.80 (c = 0.06, MeOH) |
| Reported Formula |
C20H30O3 |
| SMILES |
O[C@@]1(CC\C=C/(C)CC\C=C/2CC[C@@](\C=C\1)(OC2=O)C(C)C)C |
| SPLASH |
splash10-0006-9210000000-39b7d2b3bb72222e6fd1 |
| Source of Spectrum |
G4-73-795-1 |
| Wiley ID |
1848947 |
![LAEVIGATLACTONE_A;(1-R*,2-E,4-R*,7-E,1-E)-1-ISOPROPYL-4-HYDROXY-4,8-DIMETHYL-21-OXABICYCLO-[10.2.2]-HEXADECA-2,7,11-TRIEN-20-ONE](/api/spectrum/CnQaSkG6mf2/structure.png?h=300&w=458 "LAEVIGATLACTONE_A;(1-R*,2-E,4-R*,7-E,1-E)-1-ISOPROPYL-4-HYDROXY-4,8-DIMETHYL-21-OXABICYCLO-[10.2.2]-HEXADECA-2,7,11-TRIEN-20-ONE")
