[(9Z,19Z,21Z,26E)-26-[[2-[(Z)-[(9E,19E)-13-acetyloxy-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-26-ylidene]methyl]hydrazinyl]methylidene]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl] acetate
Grundinformationen
- CAS
37281-41-7- Standard-SMILES
COC1/C=C\OC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)/C(=C/NN/C=C2\C(=O)c3c5c(O)c(C)c6c3C(=O)C(C)(O/C=C/C(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)/C=C/C=C(C)C(=O)NC2=C5O)O6)C(=C4O)NC(=O)/C(C)=C\C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C- InChIKey
VFVHAKIMPRAJNN-YTPBQIHESA-N- Summenformel
- C76H94N4O24
- Durchschnittliche Molmasse
- 1.447,6 g/mol
- Monoisotopische Masse
- 1.446,62579988
Namen und Bezeichner
- Bevorzugter Name
- [(9Z,19Z,21Z,26E)-26-[[2-[(Z)-[(9E,19E)-13-acetyloxy-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-26-ylidene]methyl]hydrazinyl]methylidene]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl] acetate
- IUPAC
- [(9Z,19Z,21Z,26E)-26-[[2-[(Z)-[(9E,19E)-13-acetyloxy-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-26-ylidene]methyl]hydrazinyl]methylidene]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl] acetate
Datenbank-Bezeichner
- CAS
37281-41-7- PubChem CID
- 54606786
- DTXSID
DTXSID00714352
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 9
- Polarare Oberfläche (TPSA)
- 420 Ų
- H-Brücken-Donoren
- 12
- H-Brücken-Akzeptoren
- 26
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 104
- Formalladung
- 0
- Komplexität
- 3.390
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