Basic information
- CAS
1176925-59-9- Standard SMILES
Cc1ccc2c3c(ccc2c1)C(=O)c1c(ccc2c1N[C@@H]1C[C@H]2O[C@@H](C)[C@@H]1O)C3=O- InChIKey
BRKHLWAVNSMBFV-KFSCUCGKSA-N- Molecular formula
- C25H21NO4
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.14705815
Names & identifiers
- Preferred name
- C3'-desmethyl marmycin A
- IUPAC
- (1R,21R,22R,23S)-22-hydroxy-11,23-dimethyl-24-oxa-20-azahexacyclo[19.3.1.02,19.05,18.07,16.08,13]pentacosa-2(19),3,5(18),7(16),8(13),9,11,14-octaene-6,17-dione
Names & synonyms
1176925-59-9C3'-desmethyl marmycin ADTXSID40658009NSC751495NSC-751495(2R,3R,4S,6R)-3-Hydroxy-4,12-dimethyl-1,3,4,6-tetrahydro-2H-2,6-methanotetrapheno[9,8-c][1,5]oxazocine-9,16-dione
Database identifiers
- CAS
1176925-59-9- PubChem CID
- 44239019
- DTXSID
DTXSID40658009- Nikkaji
- J2.757.527G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 739
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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