| SpectraBase Compound ID | CK9RoiofRNh |
|---|---|
| InChI | InChI=1S/C20H26O7/c1-10-14(22)8-20-9-26-18(25)12(20)3-4-13(21)16(20)19(10,2)6-5-11-7-15(23)27-17(11)24/h3,7,10,13-16,21-23H,4-6,8-9H2,1-2H3/t10-,13+,14-,15?,16-,19+,20-/m1/s1 |
| InChIKey | GMGAHTBITASRRA-AYLSUALRSA-N |
| Mol Weight | 378.42 g/mol |
| Molecular Formula | C20H26O7 |
| Exact Mass | 378.167853 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CctvjsHfuCj |
|---|---|
| Name | Neoclerodane - (epimeric mixture) |
| Alternate Name(s) | 1.alpha.,7.alpha,15.-Trihydroxy-neocleroda-3,13-dien-16,15 : 18,19-diolide (6S,6aR,7S,8S,9R,10aS)-6,9-dihydroxy-7-[2-(2-hydroxy-5-oxo-2H-furan-4-yl)ethyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one (6S,6aR,7S,8S,9R,10aS)-6,9-dihydroxy-7-[2-(2-hydroxy-5-oxo-2H-furan-4-yl)ethyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d]isobenzofuran-3-one (6S,6aR,7S,8S,9R,10aS)-7,8-dimethyl-6,9-bis(oxidanyl)-7-[2-(2-oxidanyl-5-oxidanylidene-2H-furan-4-yl)ethyl]-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H26O7 |
| InChI | InChI=1S/C20H26O7/c1-10-14(22)8-20-9-26-18(25)12(20)3-4-13(21)16(20)19(10,2)6-5-11-7-15(23)27-17(11)24/h3,7,10,13-16,21-23H,4-6,8-9H2,1-2H3/t10-,13+,14-,15?,16-,19+,20-/m1/s1 |
| InChIKey | GMGAHTBITASRRA-AYLSUALRSA-N |
| Molecular Weight | 378.421 g/mol |
| SMILES | OC1OC(C(CC[C@]2([C@@]([C@@](C[C@@]34[C@@]2([C@](CC=C4C(=O)OC3)(O)[H])[H])(O)[H])(C)[H])C)=C1)=O |
| SPLASH | splash10-00l5-9200000000-8431114c795ed6556d97 |
| Source of Spectrum | G4-60-492-5 |
| Wiley ID | 1606688 |