[(9Z,19Z,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(methylamino)-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate
Basic information
- CAS
17554-98-2- Standard SMILES
CNC1=C2NC(=O)/C(C)=C\C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)/C=C\OC3(C)Oc4c(C)c(O)c(c(c4C3=O)C1=O)C2=O- InChIKey
WCGYROKEDWMGAI-FXZGSCNBSA-N- Molecular formula
- C38H48N2O12
- Average molar mass
- 724.8 g/mol
- Monoisotopic mass
- 724.32072497
Names & identifiers
- Preferred name
- [(9Z,19Z,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(methylamino)-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate
- IUPAC
- [(9Z,19Z,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(methylamino)-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate
Names & synonyms
NSC 26723017554-98-2NSC267230[trihydroxy-methoxy-heptamethyl-(methylamino)-tetraoxo-[?]yl] acetate2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,6,9,11(2H)-tetrone, 21-(acetyloxy)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-(methylamino)-, (12Z,14Z,24Z)-
Database identifiers
- CAS
17554-98-2- PubChem CID
- 6450872
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 4
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,550
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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