Basic information
- CAS
33538-64-6- Standard SMILES
CCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@H](O2)/C(C)=C\CCC[C@@H](O)/C=C\[C@H](C)C[C@H]1C- InChIKey
HCSACIWMHWPLOS-JLXZKRNUSA-N- Molecular formula
- C34H56O7
- Average molar mass
- 576.8 g/mol
Names & identifiers
- Preferred name
- (1R,5S,6R,8R,9Z,11R,15Z,17R)-1,11-dihydroxy-5-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-3-one
- IUPAC
- (1R,5S,6R,8R,9Z,11R,15Z,17R)-1,11-dihydroxy-5-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-3-one
- English name
- 13-O-De(2,6-dideoxy-β-D-arabino-hexopyranosyl)venturicidin B
- Molecular formula
- C34H56O7
- Molecular weight
- 576.80424
Names & synonyms
SCHEMBL31287890Venturicidin X13-O-De(2,6-dideoxy-β-D-arabino-hexopyranosyl)venturicidin B
Database identifiers
- CAS
33538-64-6
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 953
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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