| SpectraBase Spectrum ID |
AVkbncE71zj |
| Name |
2-Butenoic acid, 2-methyl-, 1,2,3,3a,4,7,8,8a-octahydro-8a-hydroxy-3a,6-dimethyl-1-(1-methylethyl)-3-oxo-4-azulenyl ester, [1R-[1.alpha.,3a.alpha.,4.beta.(Z),8a.alpha.]]- |
| Alternate Name(s) |
Vaginatin
(1R,3aS,4S,8aR)-8a-hydroxy-1-isopropyl-3a,6-dimethyl-3-oxo-1,2,3,3a,4,7,8,8a-octahydro-4-azulenyl (2Z)-2-methyl-2-butenoate |
| CAS Registry Number |
11053-21-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-7-14(5)18(22)24-17-10-13(4)8-9-20(23)15(12(2)3)11-16(21)19(17,20)6/h7,10,12,15,17,23H,8-9,11H2,1-6H3/b14-7-/t15-,17+,19+,20-/m1/s1 |
| InChIKey |
IVSKJBHOJBAMEK-DVNCSFLHSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
O[C@]12[C@@](C(C[C@@]2(C(C)C)[H])=O)([C@@](OC(\C(=C/C)C)=O)(C=C(C)CC1)[H])C |
| SPLASH |
splash10-001i-9000000000-b1428fe0f48437d8d516 |
| Source of Spectrum |
KC-1986-1370-19 |
| Wiley ID |
1331135 |
![2-Butenoic acid, 2-methyl-, 1,2,3,3a,4,7,8,8a-octahydro-8a-hydroxy-3a,6-dimethyl-1-(1-methylethyl)-3-oxo-4-azulenyl ester, [1R-[1.alpha.,3a.alpha.,4.beta.(Z),8a.alpha.]]-](/api/spectrum/AVkbncE71zj/structure.png?h=300&w=458 "2-Butenoic acid, 2-methyl-, 1,2,3,3a,4,7,8,8a-octahydro-8a-hydroxy-3a,6-dimethyl-1-(1-methylethyl)-3-oxo-4-azulenyl ester, [1R-[1.alpha.,3a.alpha.,4.beta.(Z),8a.alpha.]]-")
