| SpectraBase Spectrum ID |
Fqkf4q3W97Z |
| Name |
(E)-Neomanoalide |
| Alternate Name(s) |
(2R)-3-(hydroxymethyl)-2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,6-dienyl]-2H-furan-5-one
(2R)-3-(hydroxymethyl)-2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-2H-furan-5-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H38O4 |
| InChI |
InChI=1S/C25H38O4/c1-18(10-12-22-19(2)8-6-14-25(22,3)4)7-5-9-20(16-26)11-13-23-21(17-27)15-24(28)29-23/h7,11,15,23,26-27H,5-6,8-10,12-14,16-17H2,1-4H3/b18-7+,20-11+/t23-/m1/s1 |
| InChIKey |
VOZHIXNCTBMKNV-KXUMGZKHSA-N |
| Molecular Weight |
402.575 g/mol |
| SMILES |
OC\C(=C\C[C@]1(OC(C=C1CO)=O)[H])CC\C=C\(CCC1=C(CCCC1(C)C)C)C |
| SPLASH |
splash10-000i-0900000000-c731d6ac7061e461dcfe |
| Source of Spectrum |
E1-42-268-3 |
| Wiley ID |
1552458 |
