SpectraBase Spectrum ID |
CRrMIZCau8R |
Name |
(2S,3S,6S,10Z,12E)-2-chloro-3-hydroxy-6,10-dimethyl-13-[(7S)-7-methyl-5,6-dihydro-4H-benzofuran-7-yl]trideca-10,12-dien-4-one |
Appearance |
Pale yellow oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C24H35ClO3 |
InChI |
InChI=1S/C24H35ClO3/c1-17(8-5-9-18(2)16-21(26)22(27)19(3)25)10-6-13-24(4)14-7-11-20-12-15-28-23(20)24/h6,10,12-13,15,18-19,22,27H,5,7-9,11,14,16H2,1-4H3/b13-6+,17-10-/t18-,19-,22+,24+/m0/s1 |
InChIKey |
IGLKUNSGZGFDPG-SDBOTNDTSA-N |
Instrument Name |
Hitachi M-2500 |
Ionization Type |
EI |
Literature Reference DOI |
10.1021/np020456p |
Molecular Weight |
406.994 g/mol |
Optical Rotation |
[a]D30 = +2.5 (c = 0.85, CHCl3) |
Reported Formula |
C24H35(35)ClO3 |
SMILES |
O[C@@](C(C[C@](CCC\C(=C/C=C/[C@@]1(CCCc2c1occ2)C)C)(C)[H])=O)([C@](C)(Cl)[H])[H] |
SPLASH |
splash10-05fu-1929200000-2deb19cc4c312bcaa9f5 |
Source of Spectrum |
G4-66-253-7 |
Wiley ID |
1881249 |