Dinophysistoxin-1
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Product Description
Product
Dinophysistoxin-1
CAS
81720-10-7
Synonym
9,10-DEEPITHIO-9,10-DIDEHYDRO-35-METHYL-ACANTHIFOLICIN; DINOPHYSISTOXIN-1; DINOPHYSISTOXIN-I; OKADAIC ACID, 35-METHYL-; 35-methylokadaicacid; 9,10-deepithio-9,10-didehydro-35-methyl-acanthifolici; (35R)-9,45-Seco-10-demercapto-9,10-didehydro-35-methylacanthifolicin; DTX1;9,10-DEEPITHIO-9,10-DIDEHYDRO-35-METHYL-ACANTHIFOLICIN;35-Methylokadaic acid; CCRIS 3328; Dinophysistoxin-1; Okadaic acid, 35-methyl-; UNII-4Q51CVY9O2; 1,7-Dioxaspiro(5.5)undec-10-ene-2-propanoic acid, 8-((1R,2E)-3-((2R,4'aR,5R,6'S,8'R,8'aS)-6'-((1S,3S)-3-((2-S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro(5.5)undec-2-yl)-1-hydroxybutyl)octahydro-8'-hydroxy-7'-methylenespiro(furan-2(3H),2'(3'H)-pyrano(3,2-b)pyran)-5-yl)-1-methyl-2-propenyl)-alpha,5-dihydroxy-alpha,10-dimethyl-, (alphaR,2S,5R,6R,8S)-; Acanthifolicin, 9,10-deepithio-9,10-didehydro-35-methyl-; Dinophysistoxin-1;
Typical Product Specifications
Molecular weight
819.03
SMILES
C1CC[C@@H]([C@@]2(O1)O[C@@H]([C@@H](C[C@@H]([C@@H]1C(=C)[C@@H](O)[C@@H]3[C@@H](O1)CC[C@@]1(CC[C@@H](\C=C\[C@@H]([C@@H]4CC(=C[C@@]5(O4)[C@@H](O)CC[C@@H](C[C@@](C(O)=O)(O)C)O5)C)C)O1)O3)O)C)[C@@H](CC2)C)C
InChI
CLBIEZBAENPDFY-ZHACJKMWSA-N
InChIKey
1S/C45H70O13/c1-25-21-35(56-45(23-25)36(47)13-12-32(55-45)24-42(7,51)41(49)50)26(2)10-11-31-15-17-43(54-31)18-16-34-40(57-43)37(48)30(6)39(53-34)33(46)22-28(4)38-27(3)14-19-44(58-38)29(5)9-8-20-52-44/h10-11,23,26-29,31-40,46-48,51H,6,8-9,12-22,24H2,1-
Molecular weight
255.35
EINECS
200-396-7
SMILES
C(c1ccccc1)(c1ccccc1)OCCN(C)C
InChI
1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChIKey
ZZVUWRFHKOJYTH-UHFFFAOYSA-N
Henry's Law Constant
3.70E-09 atm-m3/mole
Vapor Pressure
3.70E-05 mm Hg
Melting Point
168 ° C
Atmospheric OH Rate Constant
1.27E-10 cm3/molecule-sec
pKa Dissociation Constant
8.98
log P (octanol-water)
3.27
Water solubility
3060 mg/L
Melting Point
167-172°C
Class
Industry
Dinophysistoxin-1
Product Description
Product
Dinophysistoxin-1
CAS
81720-10-7
Synonym
9,10-DEEPITHIO-9,10-DIDEHYDRO-35-METHYL-ACANTHIFOLICIN; DINOPHYSISTOXIN-1; DINOPHYSISTOXIN-I; OKADAIC ACID, 35-METHYL-; 35-methylokadaicacid; 9,10-deepithio-9,10-didehydro-35-methyl-acanthifolici; (35R)-9,45-Seco-10-demercapto-9,10-didehydro-35-methylacanthifolicin; DTX1;9,10-DEEPITHIO-9,10-DIDEHYDRO-35-METHYL-ACANTHIFOLICIN;35-Methylokadaic acid; CCRIS 3328; Dinophysistoxin-1; Okadaic acid, 35-methyl-; UNII-4Q51CVY9O2; 1,7-Dioxaspiro(5.5)undec-10-ene-2-propanoic acid, 8-((1R,2E)-3-((2R,4'aR,5R,6'S,8'R,8'aS)-6'-((1S,3S)-3-((2-S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro(5.5)undec-2-yl)-1-hydroxybutyl)octahydro-8'-hydroxy-7'-methylenespiro(furan-2(3H),2'(3'H)-pyrano(3,2-b)pyran)-5-yl)-1-methyl-2-propenyl)-alpha,5-dihydroxy-alpha,10-dimethyl-, (alphaR,2S,5R,6R,8S)-; Acanthifolicin, 9,10-deepithio-9,10-didehydro-35-methyl-; Dinophysistoxin-1;
Typical Product Specifications
Molecular weight
819.03
SMILES
C1CC[C@@H]([C@@]2(O1)O[C@@H]([C@@H](C[C@@H]([C@@H]1C(=C)[C@@H](O)[C@@H]3[C@@H](O1)CC[C@@]1(CC[C@@H](\C=C\[C@@H]([C@@H]4CC(=C[C@@]5(O4)[C@@H](O)CC[C@@H](C[C@@](C(O)=O)(O)C)O5)C)C)O1)O3)O)C)[C@@H](CC2)C)C
InChI
CLBIEZBAENPDFY-ZHACJKMWSA-N
InChIKey
1S/C45H70O13/c1-25-21-35(56-45(23-25)36(47)13-12-32(55-45)24-42(7,51)41(49)50)26(2)10-11-31-15-17-43(54-31)18-16-34-40(57-43)37(48)30(6)39(53-34)33(46)22-28(4)38-27(3)14-19-44(58-38)29(5)9-8-20-52-44/h10-11,23,26-29,31-40,46-48,51H,6,8-9,12-22,24H2,1-
Molecular weight
255.35
EINECS
200-396-7
SMILES
C(c1ccccc1)(c1ccccc1)OCCN(C)C
InChI
1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChIKey
ZZVUWRFHKOJYTH-UHFFFAOYSA-N
Henry's Law Constant
3.70E-09 atm-m3/mole
Vapor Pressure
3.70E-05 mm Hg
Melting Point
168 ° C
Atmospheric OH Rate Constant
1.27E-10 cm3/molecule-sec
pKa Dissociation Constant
8.98
log P (octanol-water)
3.27
Water solubility
3060 mg/L
Melting Point
167-172°C
Class
Industry
