Basic information
- CAS
21934-09-8- Standard SMILES
CC1CNC2C(C)C3C(CC4C5CCC6CC(N=Cc7ccccc7O)CCC6(C)C5CCC43C)OC2(O)C1- InChIKey
OGVVMTHUBVIIOA-UHFFFAOYSA-N- Molecular formula
- C34H50N2O3
- Average molar mass
- 534.8 g/mol
- Monoisotopic mass
- 534.38214346
Names & identifiers
- Preferred name
- Salicylidene solanocapsine
- IUPAC
- 7-[(2-hydroxyphenyl)methylideneamino]-10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosan-22-ol
Names & synonyms
21934-09-8Salicylidene solanocapsineDTXSID30715554OGVVMTHUBVIIOA-UHFFFAOYSA-NNSC138176NSC-138176(6E)-6-{[(11a-Hydroxy-4a,6a,7,10-tetramethyltetracosahydronaphtho[2'',1'':4',5']indeno[1',2':5,6]pyrano[3,2-b]pyridin-2-yl)amino]methylidene}cyclohexa-2,4-dien-1-one2-[(2-Hydroxybenzylidene)amino]-4a,6a,7,10-tetramethyldocosahydronaphtho[2'',1'':4',5']indeno[1',2':5,6]pyrano[3,2-b]pyridin-11a(1H)-ol #
Database identifiers
- CAS
21934-09-8- PubChem CID
- 283448
- DTXSID
DTXSID30715554
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 957
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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