| SpectraBase Spectrum ID |
HJIxfUZ7TEI |
| Name |
3-O-(Z,E)-2,4-Decadienoylingenol |
| Alternate Name(s) |
(1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-6-yl (2Z,4E)-deca-2,4-dienoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H42O6 |
| InChI |
InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-23(32)36-27-18(2)16-29-19(3)14-22-24(28(22,4)5)21(26(29)34)15-20(17-31)25(33)30(27,29)35/h10-13,15-16,19,21-22,24-25,27,31,33,35H,6-9,14,17H2,1-5H3/b11-10+,13-12-/t19-,21+,22-,24+,25-,27+,29+,30+/m1/s1 |
| InChIKey |
XMXZQPNIMGCMHC-HFORNULFSA-N |
| Molecular Weight |
498.660 g/mol |
| SMILES |
O[C@]12[C@@]3(C([C@@](C=C([C@]2(O)[H])CO)([C@]2([C@@](C[C@]3(C)[H])(C2(C)C)[H])[H])[H])=O)C=C([C@@]1(OC(\C=C/C=C/CCCCC)=O)[H])C |
| SPLASH |
splash10-0udi-0900000000-f411107fa0021e93f672 |
| Source of Spectrum |
APC-315-1031-3a |
| Wiley ID |
1787995 |
