| 2D Structure | |
| CID | 3084755 |
| IUPAC Name | [(1R,2S,3R,5S,6S,8S,8aR)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2R)-2-acetyloxy-2-methylbutanoate |
| InChI | InChI=1S/C31H44O12/c1-8-28(6,43-19(5)34)27(36)42-25-21(35)13-22-29(7,23-12-20-9-10-37-26(20)41-23)16(2)11-24(40-18(4)33)30(22,14-38-17(3)32)31(25)15-39-31/h9-10,16,20-26,35H,8,11-15H2,1-7H3/t16-,20+,21+,22?,23-,24-,25-,26-,28+,29-,30-,31+/m0/s1 |
| InChI Key | QJRGPOZOQFQNIW-ARLQUCBXSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C31H44O12 |
| Molecular Weight | 608.7 |
| synonyms | ['CLERODENDRIN B', '39877-08-2', 'Caryoptinol, 2-hydroxy-, 3-(2-(acetyloxy)-2-methylbutanoate), (2alpha,3beta(R))-', 'DTXSID30960426', "(1R,2S,3R,5S,6S,8S,8aR)-8-(Acetyloxy)-8a-[(acetyloxy)methyl]-3-hydroxy-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]octahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl (2R)-2-(acetyloxy)-2-methylbutanoate", "8-(Acetyloxy)-8a-[(acetyloxy)methyl]-3-hydroxy-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl)octahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-(acetyloxy)-2-methylbutanoate"] |
From Pubchem