Primary Record
palytoxin
- In stock
- 6,208 g
- Purity
- 99.6 %
- CAS
- 77734-91-9
Compound Identifiers & Properties
- CAS
- 77734-91-9
- PubChem CID
- 6386853
- SMILES
- CC1CC2(C(OC(C1)(O2)CCCCCCCC(CC3C(C(C(C(O3)(CC(C(C)/C=C/C(CCC(C(C4CC(C(C(O4)CC(C(CC5C(C(C(C(O5)CC(/C=C/C=C/CC(C(C(C/C=C/C(=C)CCC(C(C(C(C)CC6C(C(C(C(O6)/C=C/C(C(CC7CC8CC(O7)C(O8)CCC9C(CC(O9)CN)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)CC(C)CCCCCC(C(C(C(C(C1C(C(C(C(O1)CC(C(/C(=C/C(CC(C)C(C(=O)N/C=C/C(=O)NCCCO)O)O)/C)O)O)O)O)O)O)O)O)O)O)C
- Canonical SMILES
- C=C(/C=C/CC(O)C(O)C(O)C/C=C/C=C/C(O)CC1OC(CC(O)C(O)CC2OC(C(O)C(O)CCC(O)/C=C/C(C)C(O)CC3(O)OC(CC(O)CCCCCCCC45CC(C)CC(C)(O4)C(CC(C)CCCCCC(O)C(O)C(O)C(O)C(O)C4OC(CC(O)C(O)/C(C)=C/C(O)CC(C)C(O)C(=O)N/C=C/C(=O)NCCCO)C(O)C(O)C4O)O5)C(O)C(O)C3O)CC(O)C2O)C(O)C(O)C1O)CCC(O)C(O)C(O)C(C)CC1OC(/C=C/C(O)C(O)CC2CC3CC(O2)C(CCC2OC(CN)CC2O)O3)C(O)C(O)C1O
Names & Synonyms
- palytoxin
- Palytoxin [MI]
- Palytoxin from palythoa
- UNII-OQ17NC0MOV
- Palytoxin (C51-55 hemiacetal)
- 77734-91-9
- Palytoxin from palythoa toxica or palythoa tuberculosa
- (E)-10-[6-[12-[5-[9-[6-[(E)-10-[6-[4-[6-[(3E,5E,12E)-21-[6-[(E)-5-[7-[2-[5-(Aminomethyl)-3-hydroxyoxolan-2-yl]ethyl]-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-dihydroxypent-1-enyl]-3,4,5-trihydroxyoxan-2-yl]-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylidenehenicosa-3,5,12-trienyl]-3,4,5-trihydroxyoxan-2-yl]-2,3-dihydroxybutyl]-4,5-dihydroxyoxan-2-yl]-2,6,9,10-tetrahydroxy-3-methyldec-4-enyl]-3,4,5,6-tetrahydroxyoxan-2-yl]-8-hydroxynonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,4,5-pentahydroxy-11-methyldodecyl]-3,4,5-trihydroxyoxan-2-yl]-2,5,8,9-tetrahydroxy-N-[(E)-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]-3,7-dimethyldec-6-enamide