(3Z,5E,7R,8S,9R,11E,13E,15S,16R)-8-hydroxy-16-[(2S,3S,4R,5E,7Z)-3-hydroxy-4,8-dimethyl-9-oxoundeca-5,7-dien-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one

C34H52O7 — CID 11490032

About (3Z,5E,7R,8S,9R,11E,13E,15S,16R)-8-hydroxy-16-[(2S,3S,4R,5E,7Z)-3-hydroxy-4,8-dimethyl-9-oxoundeca-5,7-dien-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one

(3Z,5E,7R,8S,9R,11E,13E,15S,16R)-8-hydroxy-16-[(2S,3S,4R,5E,7Z)-3-hydroxy-4,8-dimethyl-9-oxoundeca-5,7-dien-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one (PubChem CID 11490032) has the molecular formula C34H52O7 and a molecular weight of 572.78 g/mol. Its IUPAC name is (3Z,5E,7R,8S,9R,11E,13E,15S,16R)-8-hydroxy-16-[(2S,3S,4R,5E,7Z)-3-hydroxy-4,8-dimethyl-9-oxoundeca-5,7-dien-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one.

Molecular Properties

• Compound Name: (3Z,5E,7R,8S,9R,11E,13E,15S,16R)-8-hydroxy-16-[(2S,3S,4R,5E,7Z)-3-hydroxy-4,8-dimethyl-9-oxoundeca-5,7-dien-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
• PubChem CID: 11490032
• Molecular Formula: C34H52O7
• Molecular Weight: 572.78 g/mol
• Exact Mass: 572.37
• IUPAC Name: (3Z,5E,7R,8S,9R,11E,13E,15S,16R)-8-hydroxy-16-[(2S,3S,4R,5E,7Z)-3-hydroxy-4,8-dimethyl-9-oxoundeca-5,7-dien-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
• SMILES: CCC(=O)/C(C)=C\C=C\[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H]1OC
• InChI: InChI=1S/C34H52O7/c1-11-28(35)23(4)15-13-16-24(5)32(37)27(8)33-29(39-9)17-12-14-21(2)18-25(6)31(36)26(7)19-22(3)20-30(40-10)34(38)41-33/h12-17,19-20,24-27,29,31-33,36-37H,11,18H2,1-10H3/b16-13+,17-12+,21-14+,22-19+,23-15-,30-20-/t24-,25-,26-,27+,29+,31+,32+,33-/m1/s1
• InChIKey: SAZREUFFIIBRJP-UYGLYVEYSA-N
• XLogP: 6.04
• TPSA: 102.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.78
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7R,8S,9R,11E,13E,15S,16R)-8-hydroxy-16-[(2S,3S,4R,5E,7Z)-3-hydroxy-4,8-dimethyl-9-oxoundeca-5,7-dien-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one?

The IUPAC name of (3Z,5E,7R,8S,9R,11E,13E,15S,16R)-8-hydroxy-16-[(2S,3S,4R,5E,7Z)-3-hydroxy-4,8-dimethyl-9-oxoundeca-5,7-dien-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one (CID 11490032) is (3Z,5E,7R,8S,9R,11E,13E,15S,16R)-8-hydroxy-16-[(2S,3S,4R,5E,7Z)-3-hydroxy-4,8-dimethyl-9-oxoundeca-5,7-dien-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one.

What is the SMILES notation for (3Z,5E,7R,8S,9R,11E,13E,15S,16R)-8-hydroxy-16-[(2S,3S,4R,5E,7Z)-3-hydroxy-4,8-dimethyl-9-oxoundeca-5,7-dien-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one?

The canonical SMILES for (3Z,5E,7R,8S,9R,11E,13E,15S,16R)-8-hydroxy-16-[(2S,3S,4R,5E,7Z)-3-hydroxy-4,8-dimethyl-9-oxoundeca-5,7-dien-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one is CCC(=O)/C(C)=C\C=C\[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H]1OC.

What is the InChIKey of (3Z,5E,7R,8S,9R,11E,13E,15S,16R)-8-hydroxy-16-[(2S,3S,4R,5E,7Z)-3-hydroxy-4,8-dimethyl-9-oxoundeca-5,7-dien-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one?

The InChIKey is SAZREUFFIIBRJP-UYGLYVEYSA-N. The full InChI is InChI=1S/C34H52O7/c1-11-28(35)23(4)15-13-16-24(5)32(37)27(8)33-29(39-9)17-12-14-21(2)18-25(6)31(36)26(7)19-22(3)20-30(40-10)34(38)41-33/h12-17,19-20,24-27,29,31-33,36-37H,11,18H2,1-10H3/b16-13+,17-12+,21-14+,22-19+,23-15-,30-20-/t24-,25-,26-,27+,29+,31+,32+,33-/m1/s1.

What are the key properties of (3Z,5E,7R,8S,9R,11E,13E,15S,16R)-8-hydroxy-16-[(2S,3S,4R,5E,7Z)-3-hydroxy-4,8-dimethyl-9-oxoundeca-5,7-dien-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one?

(3Z,5E,7R,8S,9R,11E,13E,15S,16R)-8-hydroxy-16-[(2S,3S,4R,5E,7Z)-3-hydroxy-4,8-dimethyl-9-oxoundeca-5,7-dien-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one has a molecular weight of 572.78 g/mol, XLogP of 6.04, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z,5E,7R,8S,9R,11E,13E,15S,16R)-8-hydroxy-16-[(2S,3S,4R,5E,7Z)-3-hydroxy-4,8-dimethyl-9-oxoundeca-5,7-dien-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one is sourced from PubChem (CID 11490032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).