[(9Z,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-28-phenyl-8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26(30),28-nonaen-13-yl] acetate
Basic information
- CAS
79855-04-2- Standard SMILES
COC1/C=C\OC2(C)Oc3c(C)c(O)c4c(O)c(c5[nH]c(-c6ccccc6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C- InChIKey
CWHLDYCJWSFIBX-DKDDHQGPSA-N- Molecular formula
- C44H51N3O11
- Average molar mass
- 797.9 g/mol
- Monoisotopic mass
- 797.35235945
Names & identifiers
- Preferred name
- [(9Z,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-28-phenyl-8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26(30),28-nonaen-13-yl] acetate
- IUPAC
- [(9Z,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-28-phenyl-8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26(30),28-nonaen-13-yl] acetate
Names & synonyms
NSC295110SCHEMBL29433514LM11279855-04-2NSC-295110
Database identifiers
- CAS
79855-04-2- PubChem CID
- 5477138
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,580
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Compound notes
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