Lankacidinol 2',8,14-triacetate
Basic information
- CAS
23498-39-7- Standard SMILES
CC(=O)O[C@@H]1/C=C\C(C)=C/C(NC(=O)[C@@H](C)OC(C)=O)[C@]2(C)C(=O)O[C@H](C[C@H](OC(C)=O)/C=C\C(C)=C/C1)[C@@H](C)C2=O- InChIKey
RMCSQXVZXRVVLQ-FAWXZBCKSA-N- Molecular formula
- C31H41NO10
- Average molar mass
- 587.7 g/mol
- Monoisotopic mass
- 587.2730465
Names & identifiers
- Preferred name
- Lankacidinol 2',8,14-triacetate
- IUPAC
- [(1S,3Z,5Z,7S,9Z,11Z,13S,15R,19R)-13-acetyloxy-2-[[(2R)-2-acetyloxypropanoyl]amino]-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7-yl] acetate
Names & synonyms
Lankacidinol 2',8,14-triacetate23498-39-7RefChem:1088344BRN 1696532Lactamide, N-(7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo(13.2.2)nonadeca-3,5,9,11-tetraen-2-yl)-, triacetate (ester), (all-E)-(1S,2R,7S,13S,15R,19R)-N-(7,13-Dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo(13.2.2)nonadeca-3,5,9,11-tetraen-2-yl)lactamide triacetate (ester), (all-E)-(1S,2R,7S,13S,15R,19R)-Propanamide, 2-(acetyloxy)-N-(7,13-bis(acetyloxy)-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo(13.2.2)nonadeca-3,5,9,11-tetraen-2-yl)-, (1S-(1R*,2S*,3E,5E,7R*,9E,11E,13R*,15S*,19S*))-
Database identifiers
- CAS
23498-39-7- PubChem CID
- 6445147
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,210
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Compound notes
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