Basic information
- CAS
66690-81-1- Standard SMILES
COc1ccc(/C=C\[C@]2(O)CCC[C@H]3NCC[C@H]32)cc1OC.COc1ccc(/C=C\[C@]2(O)CCC[C@H]3NCC[C@H]32)cc1OC.O=C([O-])/C=C\C(=O)[O-]- InChIKey
RJKICUPFYKUZBS-JZLSHYEDSA-L- Molecular formula
- C40H52N2O10-2
- Average molar mass
- 720.8 g/mol
- Monoisotopic mass
- 720.36219586
Overview
structure given in first source
Names & identifiers
- Preferred name
- Bis(4-(3,4-dimethoxystyryl)hexahydro-4-indolinol)
- IUPAC
- bis((3aR,4R,7aR)-4-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3,3a,5,6,7,7a-octahydroindol-4-ol);(Z)-but-2-enedioate
- English name
- bis(4-(3,4-dimethoxystyryl)hexahydro-4-indolinol)
- Molecular formula
- C40H52N2O10-2
- Molecular weight
- 720.84828
Names & synonyms
66690-81-1Bis(4-(3,4-dimethoxystyryl)hexahydro-4-indolinol)RefChem:1201291H-Indol-4-ol, 4-(2-(3,4-dimethoxyphenyl)ethenyl)octahydro-, (3aalpha,4beta,4(Z),7aalpha)-(+-)-, (Z)-2-butenedioate (2:1) (salt)Bis(3aRS,4SR,7aRS)-4-(3,4-dimethoxy-(Z)-styryl)hexahydro-4-idolinol maleate(3aR,4R,7aR)-4-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3,3a,5,6,7,7a-octahydroindol-4-ol;(Z)-but-2-enedioate1H-Indol-4-ol, 4-(2-(3,4-dimethoxyphenyl)ethenyl)octahydro-, (3a-alpha,4-beta,4(Z),7a-alpha)-(+-)-, (Z)-2-butenedioate (2:1) (salt)
Database identifiers
- CAS
66690-81-1- PubChem CID
- 6441111
Properties
Computed structural properties
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 52
- Formal charge
- -2
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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