[(9Z,19Z,21Z)-26-[(Z)-hydrazinylidenemethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

C38H49N3O12 — CID 135534710

About [(9Z,19Z,21Z)-26-[(Z)-hydrazinylidenemethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

[(9Z,19Z,21Z)-26-[(Z)-hydrazinylidenemethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate (PubChem CID 135534710) has the molecular formula C38H49N3O12 and a molecular weight of 739.82 g/mol. Its IUPAC name is [(9Z,19Z,21Z)-26-[(Z)-hydrazinylidenemethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate.

Molecular Properties

• Compound Name: [(9Z,19Z,21Z)-26-[(Z)-hydrazinylidenemethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
• PubChem CID: 135534710
• Molecular Formula: C38H49N3O12
• Molecular Weight: 739.82 g/mol
• Exact Mass: 739.33
• IUPAC Name: [(9Z,19Z,21Z)-26-[(Z)-hydrazinylidenemethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
• SMILES: COC1/C=C\OC2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\N)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C
• InChI: InChI=1S/C38H49N3O12/c1-16-11-10-12-17(2)37(49)41-28-23(15-40-39)32(46)25-26(33(28)47)31(45)21(6)35-27(25)36(48)38(8,53-35)51-14-13-24(50-9)18(3)34(52-22(7)42)20(5)30(44)19(4)29(16)43/h10-16,18-20,24,29-30,34,43-47H,39H2,1-9H3,(H,41,49)/b11-10-,14-13-,17-12-,40-15-
• InChIKey: CLWWCUPSHIAKNS-FBGNMQDPSA-N
• XLogP: 4.05
• TPSA: 239.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	739.82
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'keto_naphthol_A(2)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(9Z,19Z,21Z)-26-[(Z)-hydrazinylidenemethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate?

The IUPAC name of [(9Z,19Z,21Z)-26-[(Z)-hydrazinylidenemethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate (CID 135534710) is [(9Z,19Z,21Z)-26-[(Z)-hydrazinylidenemethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate.

What is the SMILES notation for [(9Z,19Z,21Z)-26-[(Z)-hydrazinylidenemethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate?

The canonical SMILES for [(9Z,19Z,21Z)-26-[(Z)-hydrazinylidenemethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate is COC1/C=C\OC2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\N)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C.

What is the InChIKey of [(9Z,19Z,21Z)-26-[(Z)-hydrazinylidenemethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate?

The InChIKey is CLWWCUPSHIAKNS-FBGNMQDPSA-N. The full InChI is InChI=1S/C38H49N3O12/c1-16-11-10-12-17(2)37(49)41-28-23(15-40-39)32(46)25-26(33(28)47)31(45)21(6)35-27(25)36(48)38(8,53-35)51-14-13-24(50-9)18(3)34(52-22(7)42)20(5)30(44)19(4)29(16)43/h10-16,18-20,24,29-30,34,43-47H,39H2,1-9H3,(H,41,49)/b11-10-,14-13-,17-12-,40-15-.

What are the key properties of [(9Z,19Z,21Z)-26-[(Z)-hydrazinylidenemethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate?

[(9Z,19Z,21Z)-26-[(Z)-hydrazinylidenemethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate has a molecular weight of 739.82 g/mol, XLogP of 4.05, 3 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [(9Z,19Z,21Z)-26-[(Z)-hydrazinylidenemethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate is sourced from PubChem (CID 135534710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).