[(3Z,5S,6S,7S,9S,11Z,13S,14R)-8,14-dihydroxy-14-[(3S,6S)-6-[[(2S,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]methyl]-2-methoxy-3,6-dihydro-2H-pyran-3-yl]-5,7,9,13-tetramethyltetradeca-1,3,11-trien-6-yl] carbamate

C33H53NO9 — CID 143231694

About [(3Z,5S,6S,7S,9S,11Z,13S,14R)-8,14-dihydroxy-14-[(3S,6S)-6-[[(2S,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]methyl]-2-methoxy-3,6-dihydro-2H-pyran-3-yl]-5,7,9,13-tetramethyltetradeca-1,3,11-trien-6-yl] carbamate

[(3Z,5S,6S,7S,9S,11Z,13S,14R)-8,14-dihydroxy-14-[(3S,6S)-6-[[(2S,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]methyl]-2-methoxy-3,6-dihydro-2H-pyran-3-yl]-5,7,9,13-tetramethyltetradeca-1,3,11-trien-6-yl] carbamate (PubChem CID 143231694) has the molecular formula C33H53NO9 and a molecular weight of 607.79 g/mol. Its IUPAC name is [(3Z,5S,6S,7S,9S,11Z,13S,14R)-8,14-dihydroxy-14-[(3S,6S)-6-[[(2S,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]methyl]-2-methoxy-3,6-dihydro-2H-pyran-3-yl]-5,7,9,13-tetramethyltetradeca-1,3,11-trien-6-yl] carbamate.

Molecular Properties

• Compound Name: [(3Z,5S,6S,7S,9S,11Z,13S,14R)-8,14-dihydroxy-14-[(3S,6S)-6-[[(2S,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]methyl]-2-methoxy-3,6-dihydro-2H-pyran-3-yl]-5,7,9,13-tetramethyltetradeca-1,3,11-trien-6-yl] carbamate
• PubChem CID: 143231694
• Molecular Formula: C33H53NO9
• Molecular Weight: 607.79 g/mol
• Exact Mass: 607.37
• IUPAC Name: [(3Z,5S,6S,7S,9S,11Z,13S,14R)-8,14-dihydroxy-14-[(3S,6S)-6-[[(2S,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]methyl]-2-methoxy-3,6-dihydro-2H-pyran-3-yl]-5,7,9,13-tetramethyltetradeca-1,3,11-trien-6-yl] carbamate
• SMILES: C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)C(O)[C@@H](C)C/C=C\[C@H](C)[C@@H](O)[C@@H]1C=C[C@H](C[C@@H]2OC(=O)[C@H](C)[C@@H](O)C2C)OC1OC
• InChI: InChI=1S/C33H53NO9/c1-9-10-12-20(4)30(43-33(34)39)22(6)27(35)18(2)13-11-14-19(3)28(36)25-16-15-24(41-32(25)40-8)17-26-21(5)29(37)23(7)31(38)42-26/h9-12,14-16,18-30,32,35-37H,1,13,17H2,2-8H3,(H2,34,39)/b12-10-,14-11-/t18-,19-,20-,21?,22-,23+,24+,25-,26-,27?,28+,29-,30-,32?/m0/s1
• InChIKey: BDNXNZRRBMEHFL-NHTKENIYSA-N
• XLogP: 3.90
• TPSA: 157.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.79
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3Z,5S,6S,7S,9S,11Z,13S,14R)-8,14-dihydroxy-14-[(3S,6S)-6-[[(2S,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]methyl]-2-methoxy-3,6-dihydro-2H-pyran-3-yl]-5,7,9,13-tetramethyltetradeca-1,3,11-trien-6-yl] carbamate?

The IUPAC name of [(3Z,5S,6S,7S,9S,11Z,13S,14R)-8,14-dihydroxy-14-[(3S,6S)-6-[[(2S,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]methyl]-2-methoxy-3,6-dihydro-2H-pyran-3-yl]-5,7,9,13-tetramethyltetradeca-1,3,11-trien-6-yl] carbamate (CID 143231694) is [(3Z,5S,6S,7S,9S,11Z,13S,14R)-8,14-dihydroxy-14-[(3S,6S)-6-[[(2S,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]methyl]-2-methoxy-3,6-dihydro-2H-pyran-3-yl]-5,7,9,13-tetramethyltetradeca-1,3,11-trien-6-yl] carbamate.

What is the SMILES notation for [(3Z,5S,6S,7S,9S,11Z,13S,14R)-8,14-dihydroxy-14-[(3S,6S)-6-[[(2S,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]methyl]-2-methoxy-3,6-dihydro-2H-pyran-3-yl]-5,7,9,13-tetramethyltetradeca-1,3,11-trien-6-yl] carbamate?

The canonical SMILES for [(3Z,5S,6S,7S,9S,11Z,13S,14R)-8,14-dihydroxy-14-[(3S,6S)-6-[[(2S,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]methyl]-2-methoxy-3,6-dihydro-2H-pyran-3-yl]-5,7,9,13-tetramethyltetradeca-1,3,11-trien-6-yl] carbamate is C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)C(O)[C@@H](C)C/C=C\[C@H](C)[C@@H](O)[C@@H]1C=C[C@H](C[C@@H]2OC(=O)[C@H](C)[C@@H](O)C2C)OC1OC.

What is the InChIKey of [(3Z,5S,6S,7S,9S,11Z,13S,14R)-8,14-dihydroxy-14-[(3S,6S)-6-[[(2S,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]methyl]-2-methoxy-3,6-dihydro-2H-pyran-3-yl]-5,7,9,13-tetramethyltetradeca-1,3,11-trien-6-yl] carbamate?

The InChIKey is BDNXNZRRBMEHFL-NHTKENIYSA-N. The full InChI is InChI=1S/C33H53NO9/c1-9-10-12-20(4)30(43-33(34)39)22(6)27(35)18(2)13-11-14-19(3)28(36)25-16-15-24(41-32(25)40-8)17-26-21(5)29(37)23(7)31(38)42-26/h9-12,14-16,18-30,32,35-37H,1,13,17H2,2-8H3,(H2,34,39)/b12-10-,14-11-/t18-,19-,20-,21?,22-,23+,24+,25-,26-,27?,28+,29-,30-,32?/m0/s1.

What are the key properties of [(3Z,5S,6S,7S,9S,11Z,13S,14R)-8,14-dihydroxy-14-[(3S,6S)-6-[[(2S,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]methyl]-2-methoxy-3,6-dihydro-2H-pyran-3-yl]-5,7,9,13-tetramethyltetradeca-1,3,11-trien-6-yl] carbamate?

[(3Z,5S,6S,7S,9S,11Z,13S,14R)-8,14-dihydroxy-14-[(3S,6S)-6-[[(2S,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]methyl]-2-methoxy-3,6-dihydro-2H-pyran-3-yl]-5,7,9,13-tetramethyltetradeca-1,3,11-trien-6-yl] carbamate has a molecular weight of 607.79 g/mol, XLogP of 3.90, 15 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(3Z,5S,6S,7S,9S,11Z,13S,14R)-8,14-dihydroxy-14-[(3S,6S)-6-[[(2S,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]methyl]-2-methoxy-3,6-dihydro-2H-pyran-3-yl]-5,7,9,13-tetramethyltetradeca-1,3,11-trien-6-yl] carbamate is sourced from PubChem (CID 143231694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).