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Basic information
- CAS
139979-81-0- Standard SMILES
CC(=O)O[C@H]1C[C@](C)(O)C23OC(C)(C)[C@H]([C@H](OC(=O)C(C)C)[C@@H](OC(=O)c4ccccc4)[C@]2(COC(=O)C(C)C)[C@H]1OC(C)=O)[C@H]3O- InChIKey
HAHJPPZGVANYSD-CHDNDZPOSA-N- Molecular formula
- C34H46O13
- Average molar mass
- 662.729 g/mol
- Monoisotopic mass
- 662.29384153
Names & identifiers
- Preferred name
- 6,7-Bis(acetyloxy)-9,10-dihydroxy-2,2,9-trimethyl-4-[(2-methylpropanoyl)oxy]-5a-{[(2-methylpropanoyl)oxy]methyl}octahydro-2H-3,9a-methano-1-benzoxepin-5-yl benzoate
- IUPAC
- (3S,4S,5S,5aS,6R,7S,9S,10R)-6,7-Bis(acetyloxy)-9,10-dihydroxy-2,2,9-trimethyl-4-[(2-methylpropanoyl)oxy]-5a-{[(2-methylpropanoyl)oxy]methyl}octahydro-2H-3,9a-methano-1-benzoxepin-5-yl benzoate
- English name
- Celangulin V
- Molecular formula
- C34H46O13
- Molecular weight
- 662.72
Names & synonyms
Angulatin ACelangulin VAngulatin A,(-)-Angulatin APropanoic acid, 2-methyl-, [(3S,4S,5S,5aS,6R,7S,9S,9aS,10R)-6,7-bis(acetyloxy)-5-(benzoyloxy)octahydro-9,10-dihydroxy-2,2,9-trimethyl-4-(2-methyl-1-oxopropoxy)-5aH-3,9a-methano-1-benzoxepin-5a-yl]methyl ester
Database identifiers
- CAS
139979-81-0- PubChem CID
- 178554
- DTXSID
DTXSID10930682
Properties
Physicochemical properties
- Melting point
- 198 · 198-200 °C
- Boiling point
- 694.9 · 694.9±55.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 13.01 · 13.01±0.70(Predicted)
Chemistry & industry
Applications
DescriptionCelangulin V is a natural β-dihydroagarofuran derivative isolated from Celastrus angulatus which shows insecticidal activity in many agricultural pests.
UsesAngulatin A is a natural product that can be found in Celastrus angulatus[1].
Suppliers13 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都普瑞法科技开发有限公司+86-28-82633860; +86-18080483897 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
Related reactions
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Compound notes
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