| SpectraBase Compound ID | LP4pKFJCBQa |
|---|---|
| InChI | InChI=1S/C44H58O8/c1-27(13-9-17-29(3)41(47)48)15-11-21-43(7)23-19-33-37(35(45)25-31(5)39(33)51-43)38-34-20-24-44(8,52-40(34)32(6)26-36(38)46)22-12-16-28(2)14-10-18-30(4)42(49)50/h15-18,25-26,45-46H,9-14,19-24H2,1-8H3,(H,47,48)(H,49,50)/b27-15+,28-16+,29-17-,30-18- |
| InChIKey | IWBVKKPYYVRNDL-XBFDZKHISA-N |
| Mol Weight | 714.9 g/mol |
| Molecular Formula | C44H58O8 |
| Exact Mass | 714.413169 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3EkJ1TuW9wH |
|---|---|
| Name | 3',3"'-Bispolycerasoidol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H58O8 |
| InChI | InChI=1S/C44H58O8/c1-27(13-9-17-29(3)41(47)48)15-11-21-43(7)23-19-33-37(35(45)25-31(5)39(33)51-43)38-34-20-24-44(8,52-40(34)32(6)26-36(38)46)22-12-16-28(2)14-10-18-30(4)42(49)50/h15-18,25-26,45-46H,9-14,19-24H2,1-8H3,(H,47,48)(H,49,50)/b27-15+,28-16+,29-17-,30-18- |
| InChIKey | IWBVKKPYYVRNDL-XBFDZKHISA-N |
| Molecular Weight | 714.940 g/mol |
| SMILES | OC(\C(=C/CC\C(=C\CCC1(Oc2c(c(-c3c(cc(c4c3CCC(O4)(CC\C=C\(CC\C=C/(C(=O)O)C)C)C)C)O)c(cc2C)O)CC1)C)C)C)=O |
| SPLASH | splash10-0aou-9501002100-8c4a09b503ac6eaa82b3 |
| Source of Spectrum | O1-57-532-1 |
| Synonyms | (2Z,6E)-9-[5-[2-[(3E,7Z)-8-carboxy-4-methylnona-3,7-dienyl]-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-5-yl]-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6-dimethylnona-2,6-dienoic acid (2Z,6E)-9-[5-[2-[(3E,7Z)-8-carboxy-4-methylnona-3,7-dienyl]-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-5-yl]-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6-dimethylnona-2,6-dienoic acid (2Z,6E)-9-[5-[2-[(3E,7Z)-4,8-dimethyl-9-oxidanyl-9-oxidanylidene-nona-3,7-dienyl]-2,8-dimethyl-6-oxidanyl-3,4-dihydrochromen-5-yl]-2,8-dimethyl-6-oxidanyl-3,4-dihydrochromen-2-yl]-2,6-dimethyl-nona-2,6-dienoic acid |
| Wiley ID | 1591464 |