Account (Z)-4-((1S,3aR,5S,11R,14aS)-8,9-Dihydroxy-2,2,11-trimethyl-13-(3-methylbut-2-en-1-yl)-11-(4-methylpent-3-en-1-yl)-4,7-dioxo-2,3a,4,5,7,9,10,11-octahydro-1H-1,5-methanofuro[3,2-g]pyrano[3,2-b]xanthen-3a-yl)-2-methylbut-2-enoic acid
- Catalog No. :
- ACNWTA207
- CAS No. :
- 93772-31-7
- Molecular Formula :
- C38H46O9
- Molecular Weight :
- 646.78
IUPAC Name:(Z)-4-((1S,3aR,5S,11R,14aS)-8,9-dihydroxy-2,2,11-trimethyl-13-(3-methylbut-2-en-1-yl)-11-(4-methylpent-3-en-1-yl)-4,7-dioxo-1,2,5,7,10,11-hexahydro-9H-1,5-methanofuro[3,2-g]pyrano[3,2-b]xanthen-3a(4H)-yl)-2-methylbut-2-enoic acid
![(Z)-4-((1S,3aR,5S,11R,14aS)-8,9-Dihydroxy-2,2,11-trimethyl-13-(3-methylbut-2-en-1-yl)-11-(4-methylpent-3-en-1-yl)-4,7-dioxo-2,3a,4,5,7,9,10,11-octahydro-1H-1,5-methanofuro[3,2-g]pyrano[3,2-b]xanthen-3a-yl)-2-methylbut-2-enoic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (Z)-4-((1S,3aR,5S,11R,14aS)-8,9-Dihydroxy-2,2,11-trimethyl-13-(3-methylbut-2-en-1-yl)-11-(4-methylpent-3-en-1-yl)-4,7-dioxo-2,3a,4,5,7,9,10,11-octahydro-1H-1,5-methanofuro[3,2-g]pyrano[3,2-b]xanthen-3a-yl)-2-methylbut-2-enoic acid |
|---|---|
| IUPAC Name | (Z)-4-((1S,3aR,5S,11R,14aS)-8,9-dihydroxy-2,2,11-trimethyl-13-(3-methylbut-2-en-1-yl)-11-(4-methylpent-3-en-1-yl)-4,7-dioxo-1,2,5,7,10,11-hexahydro-9H-1,5-methanofuro[3,2-g]pyrano[3,2-b]xanthen-3a(4H)-yl)-2-methylbut-2-enoic acid |
| MDL No. | MFCD32644736 |
| Molecular Formula | C38H46O9 |
| Molecular Weight | 646.78 |
| SMILES | O=C(O)/C(C)=C\C[C@@](C([C@]1([H])C=C23)=O)(OC(C)(C)[C@]4([H])C1)[C@@]24OC5=C(C(O)=C(C(O)C[C@](CCC=C(C)C)(C)O6)C6=C5CC=C(C)C)C3=O |
| InChI Key | BLDWFKHVHHINGR-USTPBOFMSA-N |
| Synonym | neo-gambogic acid;2-Butenoic acid,4-[3a,4,5,7,10,11-hexahydro-8,9-dihydroxy-3,3,11-trimethyl-13-(3-methyl-2-buten-1-yl)-11-(4-methyl-3-penten-1-yl)-7,15-dioxo-1,5-methano-1H,3H,9H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methyl-;4-[3a,4,5,7,10,11-Hexahydro-8,9-dihydroxy-3,3,11-trimethyl-13-(3-methyl-2-buten-1-yl)-11-(4-methyl-3-penten-1-yl)-7,15-dioxo-1,5-methano-1H,3H,9H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methyl-2-butenoic acid;2-Butenoic acid, 4-[(1R,3aS,5S,11R,14aS)-3a,4,5,7,10,11-hexahydro-8,9-dihydroxy-3,3,11-trimethyl-13-(3-methyl-2-buten-1-yl)-11-(4-methyl-3-penten-1-yl)-7,15-dioxo-1,5-methano-1H,3H,9H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methyl-, (2Z)-;2-Dioleoyl-sn-glycero-3-phosphoethanolamine;neogamogic acid;Neogambogic acid-RM;Neogambogic acid, 10 mM in DMSO |
| CAS No. | 93772-31-7 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P301+P310+P330-P304+P340+P312-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACNWTA207 Molecular Building Block Synthetic Route
4-(8,9-Dihydroxy-2,2,11-trimethyl-13-(3-methylbut-2-en-1-yl)-11-(4-methylpent-3-en-1-yl)-4,7-dioxo-1,2,5,7,10,11-hexahydro-9H-1,5-methanofuro[3,2-g]pyrano[3,2-b]xanthen-3a(4H)-yl)-2-methylbut-2-enoic acid
(Z)-4-((1R,3aS,5S,12aS)-9-((E)-3,7-Dimethylocta-2,6-dien-1-yl)-8,10-dihydroxy-2,2-dimethyl-11-(3-methylbut-2-en-1-yl)-4,7-dioxo-1,2,5,7-tetrahydro-1,5-methanofuro[2,3-d]xanthen-3a(4H)-yl)-2-methylbut-2-enoic acid
(E)-4-(9-((E)-3,7-dimethylocta-2,6-dien-1-yl)-8,10-dihydroxy-2,2-dimethyl-11-(3-methylbut-2-en-1-yl)-4,7-dioxo-1,2,5,7-tetrahydro-1,5-methanofuro[2,3-d]xanthen-3a(4H)-yl)-2-methylbut-2-enoic acid