Account (R)-2-Hydroxy-3-((2S,5R,6R,8S)-5-hydroxy-8-((R,E)-4-((2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-((1S,3S)-1-hydroxy-3-((2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl)-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl)but-3-en-2-yl)-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl)-2-methylpropanoic acid
- Catalog No. :
- ACKQNE718
- CAS No. :
- 78111-17-8
- Molecular Formula :
- C44H68O13
- Molecular Weight :
- 805.02
IUPAC Name:(R)-2-Hydroxy-3-((2S,5R,6R,8S)-5-hydroxy-8-((R,E)-4-((2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-((1S,3S)-1-hydroxy-3-((2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl)-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl)but-3-en-2-yl)-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl)-2-methylpropanoic acid
![(R)-2-Hydroxy-3-((2S,5R,6R,8S)-5-hydroxy-8-((R,E)-4-((2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-((1S,3S)-1-hydroxy-3-((2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl)-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl)but-3-en-2-yl)-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl)-2-methylpropanoic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (R)-2-Hydroxy-3-((2S,5R,6R,8S)-5-hydroxy-8-((R,E)-4-((2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-((1S,3S)-1-hydroxy-3-((2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl)-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl)but-3-en-2-yl)-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl)-2-methylpropanoic acid |
|---|---|
| IUPAC Name | (R)-2-Hydroxy-3-((2S,5R,6R,8S)-5-hydroxy-8-((R,E)-4-((2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-((1S,3S)-1-hydroxy-3-((2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl)-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl)but-3-en-2-yl)-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl)-2-methylpropanoic acid |
| Molecular Formula | C44H68O13 |
| Molecular Weight | 805.02 |
| SMILES | C=C1[C@@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@@H](O)C[C@H](C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C |
| InChI Key | QNDVLZJODHBUFM-WFXQOWMNSA-N |
| Synonym | 1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoicacid, a,5-dihydroxy-a,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(;Okadaic acid 35-Demethyl-DTX 1 NSC 677083 35-Demethyldinophysistoxin 1;OA;OKADAIC ACID, PROROCENTRUM CONCAVUM;OKADAIC ACID;35-Demethyldinophysistoxin 1;35-Demethyl-DTX 1;NSC 677083 |
| CAS No. | 78111-17-8 |
Synthetic Route by SureRoute
2. ACKQNE718 Molecular Building Block Synthetic Route
Sodium (R)-2-hydroxy-3-((2S,5R,6R,8S)-5-hydroxy-8-((R,E)-4-((2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-((1S,3S)-1-hydroxy-3-((2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl)-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl)but-3-en-2-yl)-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl)-2-methylpropanoate
(2S,2a'E,2a1'S,4'E,5S,6R,6'S,7'S,8'E,11'R,15'S,17a'R,20'R,20a'R)-6-Cyclohexyl-2a1',20'-dihydroxy-7'-(((2R,4S,5S,6S)-5-(((2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5,6',8',19'-tetramethyl-2a1',5,6,6',7',10',11',14',15',17a',20',20a'-dodecahydro-2'H,17'H-spiro[pyran-2,13'-[11,15]methano[1,5]dioxacyclooctadecino[9,8,7-cd]benzofuran]-17'-one
(2S,2a'Z,2a1'S,4'E,5S,6R,6'S,7'S,8'E,11'R,15'S,17a'R,20'R,20a'R)-6-((S)-sec-butyl)-2',2a1',20'-trihydroxy-7'-(((2R,4S,5S,6S)-5-(((2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5,6',8',19'-tetramethyl-2a1',5,6,6',7',10',11',14',15',17a',20',20a'-dodecahydro-2'H,17'H-spiro[pyran-2,13'-[11,15]methano[1,5]dioxacyclooctadecino[9,8,7-cd]benzofuran]-17'-one