Basic information
- CAS
72939-70-9- Standard SMILES
C=CC1=C(C)C2=NC1=CC1=NC(=C(CC)C1=CO)C=C1N=C3C(=C1C)C(=O)[C@H](C(=O)O)C3=C1NC(=C2)[C@@H](C)[C@@H]1CCC(=O)O- InChIKey
ZMHKHPLPCUPMJI-KSTFKLPXSA-N- Molecular formula
- C34H32N4O6
- Average molar mass
- 592.6 g/mol
- Monoisotopic mass
- 592.23218475
Names & identifiers
- Preferred name
- 3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, (3S,4S,21R)-
- IUPAC
- (3R,21S,22S)-22-(2-carboxyethyl)-16-ethenyl-11-ethyl-12-(hydroxymethylidene)-17,21,26-trimethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaene-3-carboxylic acid
Names & synonyms
72939-70-9HJKAWQIOSYUTCQ-KSTFKLPXSA-NKAMWOLJECUMROJ-SVEMHDRJSA-NKAMWOLJECUMROJ-XQBJKSMKSA-N3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, (3S,4S,21R)-
Database identifiers
- CAS
72939-70-9- PubChem CID
- 175337
- EC Number
- 277-116-5
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,850
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, (3S,4S,21R)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…