11-(5-hydroxy-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-11-yl)-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol

C34H38O8 — CID 10698361

About 11-(5-hydroxy-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-11-yl)-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol

11-(5-hydroxy-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-11-yl)-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol (PubChem CID 10698361) has the molecular formula C34H38O8 and a molecular weight of 574.67 g/mol. Its IUPAC name is 11-(5-hydroxy-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-11-yl)-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol.

Molecular Properties

• Compound Name: 11-(5-hydroxy-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-11-yl)-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol
• PubChem CID: 10698361
• Molecular Formula: C34H38O8
• Molecular Weight: 574.67 g/mol
• Exact Mass: 574.26
• IUPAC Name: 11-(5-hydroxy-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-11-yl)-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol
• SMILES: COc1c(O)c2c3c(c(-c4c(C)cc5c(C(C)C)c(OC)c(O)c6c5c4OC6OC)c(C)cc3c1C(C)C)OC2OC
• InChI: InChI=1S/C34H38O8/c1-13(2)19-17-11-15(5)21(29-23(17)25(33(39-9)41-29)27(35)31(19)37-7)22-16(6)12-18-20(14(3)4)32(38-8)28(36)26-24(18)30(22)42-34(26)40-10/h11-14,33-36H,1-10H3
• InChIKey: CMCJVDMCSZCWKQ-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.67
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 11-(5-hydroxy-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-11-yl)-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol?

The IUPAC name of 11-(5-hydroxy-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-11-yl)-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol (CID 10698361) is 11-(5-hydroxy-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-11-yl)-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol.

What is the SMILES notation for 11-(5-hydroxy-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-11-yl)-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol?

The canonical SMILES for 11-(5-hydroxy-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-11-yl)-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol is COc1c(O)c2c3c(c(-c4c(C)cc5c(C(C)C)c(OC)c(O)c6c5c4OC6OC)c(C)cc3c1C(C)C)OC2OC.

What is the InChIKey of 11-(5-hydroxy-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-11-yl)-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol?

The InChIKey is CMCJVDMCSZCWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O8/c1-13(2)19-17-11-15(5)21(29-23(17)25(33(39-9)41-29)27(35)31(19)37-7)22-16(6)12-18-20(14(3)4)32(38-8)28(36)26-24(18)30(22)42-34(26)40-10/h11-14,33-36H,1-10H3.

What are the key properties of 11-(5-hydroxy-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-11-yl)-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol?

11-(5-hydroxy-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-11-yl)-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol has a molecular weight of 574.67 g/mol, XLogP of 8.03, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(5-hydroxy-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-11-yl)-3,6-dimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol is sourced from PubChem (CID 10698361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).