| SpectraBase Compound ID | C14SMRjMTcC |
|---|---|
| InChI | InChI=1S/C22H30O7/c1-12-16(28-13(2)23)11-22(4)15(19(25)26)6-5-7-17(22)21(12,3)9-8-14-10-18(24)29-20(14)27/h6,10,12,16-18,24H,5,7-9,11H2,1-4H3,(H,25,26)/t12-,16-,17-,18?,21+,22+/m0/s1 |
| InChIKey | XOELCTLRLVAXKX-JVMIIVTASA-N |
| Mol Weight | 406.48 g/mol |
| Molecular Formula | C22H30O7 |
| Exact Mass | 406.199153 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3UslDnP8Uq |
|---|---|
| Name | (+)-7.beta.-Acetoxy-16-hydroxy-3,13-clerodadiene-16,15-olid-18-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O7 |
| InChI | InChI=1S/C22H30O7/c1-12-16(28-13(2)23)11-22(4)15(19(25)26)6-5-7-17(22)21(12,3)9-8-14-10-18(24)29-20(14)27/h6,10,12,16-18,24H,5,7-9,11H2,1-4H3,(H,25,26)/t12-,16-,17-,18?,21+,22+/m0/s1 |
| InChIKey | XOELCTLRLVAXKX-JVMIIVTASA-N |
| Molecular Weight | 406.475 g/mol |
| SMILES | OC(C=1[C@@]2([C@]([C@](CCC3=CC(OC3=O)O)([C@]([C@](C2)(OC(=O)C)[H])(C)[H])C)(CCC1)[H])C)=O |
| SPLASH | splash10-00or-0579000000-d9c9e6c47ac08c726dd2 |
| Source of Spectrum | E1-42-1206-6 |
| Synonyms | (4aS,5S,6R,7S,8aS)-7-acetyloxy-5-[2-(2-hydroxy-5-oxo-2H-furan-4-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid (4aS,5S,6R,7S,8aS)-7-acetoxy-5-[2-(2-hydroxy-5-oxo-2H-furan-4-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid (4aS,5S,6R,7S,8aS)-7-acetyloxy-5,6,8a-trimethyl-5-[2-(2-oxidanyl-5-oxidanylidene-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid |
| Wiley ID | 1552680 |