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Basic information
- CAS
465-77-0- Standard SMILES
CCC(C)C(=O)O[C@H]1[C@H](O)C2C(CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)C2C[C@@]34O[C@@]5(O)C(C[C@@H](O)C3[C@@]21O)[C@]4(C)CC[C@@H]5OC(C)=O- InChIKey
OPCXCFMPHIBOMS-JAYPKBCLSA-N- Molecular formula
- C34H53NO10
- Average molar mass
- 635.8 g/mol
- Monoisotopic mass
- 635.3669469
Overview
See also: Germidine (annotation moved to).
Names & identifiers
- Preferred name
- 3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate
- IUPAC
- [(6S,9S,10S,12R,13S,14S,16R,19S,22S,23S,25R)-22-acetyloxy-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] 2-methylbutanoate
Names & synonyms
DTXSID709635923-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate465-77-0(5xi,8xi,12xi,13xi,17xi)-3beta-(Acetyloxy)-4alpha,7alpha,14,16beta,20-pentahydroxy-4,9-epoxycevan-15alpha-yl 2-methylbutanoate
Database identifiers
- CAS
465-77-0- PubChem CID
- 10067
- DTXSID
DTXSID70963592
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,250
Related reactions
0 records
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Compound notes
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