| SpectraBase Compound ID | HejRsLaMUdy |
|---|---|
| InChI | InChI=1S/C22H30O6/c1-13-17(28-14(2)23)12-22(4)16(19(24)25)6-5-7-18(22)21(13,3)10-8-15-9-11-27-20(15)26/h6,9,13,17-18H,5,7-8,10-12H2,1-4H3,(H,24,25)/t13-,17-,18-,21+,22+/m0/s1 |
| InChIKey | CGHWOLXZDIQTSS-QELNBDQJSA-N |
| Mol Weight | 390.48 g/mol |
| Molecular Formula | C22H30O6 |
| Exact Mass | 390.204239 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3Meb2HXh9U |
|---|---|
| Name | (+)-7.beta.-Acetoxy-3,13-clerodadiene-16,15-olid-18-oic acid |
| Alternate Name(s) | (4aS,5S,6R,7S,8aS)-7-acetyloxy-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid (4aS,5S,6R,7S,8aS)-7-acetoxy-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid (4aS,5S,6R,7S,8aS)-7-acetyloxy-5,6,8a-trimethyl-5-[2-(5-oxidanylidene-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O6 |
| InChI | InChI=1S/C22H30O6/c1-13-17(28-14(2)23)12-22(4)16(19(24)25)6-5-7-18(22)21(13,3)10-8-15-9-11-27-20(15)26/h6,9,13,17-18H,5,7-8,10-12H2,1-4H3,(H,24,25)/t13-,17-,18-,21+,22+/m0/s1 |
| InChIKey | CGHWOLXZDIQTSS-QELNBDQJSA-N |
| Molecular Weight | 390.476 g/mol |
| SMILES | OC(C=1[C@@]2([C@]([C@@](CCC=3C(OCC3)=O)(C)[C@]([C@](C2)(OC(=O)C)[H])(C)[H])(CCC1)[H])C)=O |
| SPLASH | splash10-01vk-1295000000-6f3b0755600c4ddd3430 |
| Source of Spectrum | E1-42-1206-5 |
| Wiley ID | 1552681 |