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| CAS No.: | 27876-94-4 |
| Molecular Formula | C₂₀H₂₄O₄ |
| Molecular Weight | 328.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Diterpenoids |
IUPAC Name: (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
InChI: InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+
InChIKey: PANKHBYNKQNAHN-MQQNZMFNSA-N
Canonical SMILES: CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O
Isomeric SMILES: C/C(=CC=CC=C(C=CC=C(C(=O)O)/C)/C)/C=C/C=C(/C(=O)O)C
Synonyms: Crocetin; 27876-94-4; Transcrocetin; trans-Crocetin; 8,8′-Diapocarotenedioic acid; Transcrocetinate; (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid; Transcrocetin [INN]; …
Botanical Source: Crocus sativus L.
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