[(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-8,14-dihydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,13,15-pentamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate

C32H53NO7 — CID 143231702

About [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-8,14-dihydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,13,15-pentamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate

[(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-8,14-dihydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,13,15-pentamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate (PubChem CID 143231702) has the molecular formula C32H53NO7 and a molecular weight of 563.78 g/mol. Its IUPAC name is [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-8,14-dihydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,13,15-pentamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate.

Molecular Properties

• Compound Name: [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-8,14-dihydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,13,15-pentamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate
• PubChem CID: 143231702
• Molecular Formula: C32H53NO7
• Molecular Weight: 563.78 g/mol
• Exact Mass: 563.38
• IUPAC Name: [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-8,14-dihydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,13,15-pentamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate
• SMILES: C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CC[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C
• InChI: InChI=1S/C32H53NO7/c1-9-10-14-22(5)30(40-32(33)38)24(7)28(35)21(4)17-13-16-20(3)27(34)19(2)15-11-12-18-26-23(6)29(36)25(8)31(37)39-26/h9-11,13-16,19-30,34-36H,1,12,17-18H2,2-8H3,(H2,33,38)/b14-10-,15-11-,16-13-/t19-,20-,21-,22-,23-,24-,25+,26-,27-,28+,29-,30-/m0/s1
• InChIKey: FKFRBVZODOBCQV-JFZIMWRMSA-N
• XLogP: 4.94
• TPSA: 139.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.78
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

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,8R,9S,11Z,13S,14S,15S,16Z)-8,14-dihydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,13,15-pentamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate?

The IUPAC name of [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-8,14-dihydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,13,15-pentamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate (CID 143231702) is [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-8,14-dihydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,13,15-pentamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate.

What is the SMILES notation for [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-8,14-dihydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,13,15-pentamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate?

The canonical SMILES for [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-8,14-dihydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,13,15-pentamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate is C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CC[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C.

What is the InChIKey of [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-8,14-dihydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,13,15-pentamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate?

The InChIKey is FKFRBVZODOBCQV-JFZIMWRMSA-N. The full InChI is InChI=1S/C32H53NO7/c1-9-10-14-22(5)30(40-32(33)38)24(7)28(35)21(4)17-13-16-20(3)27(34)19(2)15-11-12-18-26-23(6)29(36)25(8)31(37)39-26/h9-11,13-16,19-30,34-36H,1,12,17-18H2,2-8H3,(H2,33,38)/b14-10-,15-11-,16-13-/t19-,20-,21-,22-,23-,24-,25+,26-,27-,28+,29-,30-/m0/s1.

What are the key properties of [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-8,14-dihydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,13,15-pentamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate?

[(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-8,14-dihydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,13,15-pentamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate has a molecular weight of 563.78 g/mol, XLogP of 4.94, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z)-8,14-dihydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,13,15-pentamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate is sourced from PubChem (CID 143231702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).