Basic information
- CAS
51756-84-4- Standard SMILES
COC1/C=C/OC2(C)Oc3c(C)c(O)c4c(c(O)cc5nc(oc54)/C(C)=C\C=C\C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c3C2=O- InChIKey
KRQNWBCCZMMJTK-AEZIOYLSSA-N- Molecular formula
- C37H45NO11
- Average molar mass
- 679.8 g/mol
- Monoisotopic mass
- 679.29926125
Names & identifiers
- Preferred name
- [(12Z,14E,24E)-3,6,17,19-tetrahydroxy-23-methoxy-2,12,16,18,20,22,27-heptamethyl-28-oxo-10,26,30-trioxa-31-azapentacyclo[25.2.1.18,11.04,9.05,29]hentriaconta-1(29),2,4(9),5,7,11(31),12,14,24-nonaen-21-yl] acetate
- IUPAC
- [(12Z,14E,24E)-3,6,17,19-tetrahydroxy-23-methoxy-2,12,16,18,20,22,27-heptamethyl-28-oxo-10,26,30-trioxa-31-azapentacyclo[25.2.1.18,11.04,9.05,29]hentriaconta-1(29),2,4(9),5,7,11(31),12,14,24-nonaen-21-yl] acetate
Names & synonyms
NSC26723151756-84-4NSC-267231
Database identifiers
- CAS
51756-84-4- PubChem CID
- 5358596
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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