(9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-ol

C29H32O8 — CID 5317802

About (9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-ol

(9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-ol (PubChem CID 5317802) has the molecular formula C29H32O8 and a molecular weight of 508.57 g/mol. Its IUPAC name is (9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-ol.

Molecular Properties

• Compound Name: (9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-ol
• PubChem CID: 5317802
• Molecular Formula: C29H32O8
• Molecular Weight: 508.57 g/mol
• Exact Mass: 508.21
• IUPAC Name: (9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-ol
• SMILES: COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](Oc1ccccc1)[C@@](C)(O)[C@@H](C)C2
• InChI: InChI=1S/C29H32O8/c1-16-12-17-13-20(31-3)24(32-4)26(33-5)22(17)23-19(14-21-25(27(23)34-6)36-15-35-21)28(29(16,2)30)37-18-10-8-7-9-11-18/h7-11,13-14,16,28,30H,12,15H2,1-6H3/t16-,28-,29-/m0/s1
• InChIKey: AZMQTBXLMHEDNG-JCNFZPKBSA-N
• XLogP: 5.18
• TPSA: 84.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.57
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-ol?

The IUPAC name of (9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-ol (CID 5317802) is (9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-ol.

What is the SMILES notation for (9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-ol?

The canonical SMILES for (9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-ol is COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](Oc1ccccc1)[C@@](C)(O)[C@@H](C)C2.

What is the InChIKey of (9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-ol?

The InChIKey is AZMQTBXLMHEDNG-JCNFZPKBSA-N. The full InChI is InChI=1S/C29H32O8/c1-16-12-17-13-20(31-3)24(32-4)26(33-5)22(17)23-19(14-21-25(27(23)34-6)36-15-35-21)28(29(16,2)30)37-18-10-8-7-9-11-18/h7-11,13-14,16,28,30H,12,15H2,1-6H3/t16-,28-,29-/m0/s1.

What are the key properties of (9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-ol?

(9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-ol has a molecular weight of 508.57 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-ol is sourced from PubChem (CID 5317802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).