Basic information
- CAS
97877-69-5- Standard SMILES
CC1=CC(=O)[C@@H]2[C@@H](C1)C13C=C4N5C[C@@H]6C[C@H](C)CC5(CC[C@@]4(C)[C@]4(COC(=O)C4)[C@H]1[C@](O)(OC3)[C@@H]2C)O6- InChIKey
ACDRDEOVULSAPQ-NUMHYOOVSA-N- Molecular formula
- C30H39NO6
- Average molar mass
- 509.6 g/mol
- Monoisotopic mass
- 509.27773796
Names & identifiers
- Preferred name
- Zoanthenamine
- IUPAC
- (6S,8S,13S,14R,15S,16R,17R,18R,23R)-16-hydroxy-8,13,17,21-tetramethylspiro[25,26-dioxa-4-azaheptacyclo[14.7.2.16,10.01,15.03,13.04,10.018,23]hexacosa-2,20-diene-14,4'-oxolane]-2',19-dione
Names & synonyms
Zoanthenamine97877-69-5DTXSID00913565(3'R,4aR,5R,6R,6aS,7aS,11S,13S,16bR)-6-Hydroxy-2,5,7a,11-tetramethyl-1,4a,5,6,6a,8,9,11,12,13,14,16b-dodecahydro-4H,7aH,10H-spiro[9a,13-epoxy-6,16a-(epoxymethano)azepino[1,2-a]naphtho[2,1-g]quinoline-7,3'-oxolane]-4,5'-dione6-Hydroxy-2,5,7a,11-tetramethyl-1,4a,5,6,6a,8,9,11,12,13,14,16b-dodecahydro-4H,7aH,10H-spiro[9a,13-epoxy-6,16a-(epoxymethano)azepino[1,2-a]naphtho[2,1-g]quinoline-7,3'-oxolane]-4,5'-dione
Database identifiers
- CAS
97877-69-5- PubChem CID
- 178996
- DTXSID
DTXSID00913565
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…