[(5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxooxan-2-yl]nonadeca-11,16-dien-6-yl] carbamate

C32H57NO7 — CID 11584966

About [(5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxooxan-2-yl]nonadeca-11,16-dien-6-yl] carbamate

[(5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxooxan-2-yl]nonadeca-11,16-dien-6-yl] carbamate (PubChem CID 11584966) has the molecular formula C32H57NO7 and a molecular weight of 567.81 g/mol. Its IUPAC name is [(5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxooxan-2-yl]nonadeca-11,16-dien-6-yl] carbamate.

Molecular Properties

• Compound Name: [(5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxooxan-2-yl]nonadeca-11,16-dien-6-yl] carbamate
• PubChem CID: 11584966
• Molecular Formula: C32H57NO7
• Molecular Weight: 567.81 g/mol
• Exact Mass: 567.41
• IUPAC Name: [(5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxooxan-2-yl]nonadeca-11,16-dien-6-yl] carbamate
• SMILES: CCCC[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)CC[C@H]1C
• InChI: InChI=1S/C32H57NO7/c1-9-10-11-22(5)31(40-32(33)38)25(8)30(37)24(7)17-19(2)16-23(6)29(36)21(4)12-14-26(34)18-27-20(3)13-15-28(35)39-27/h12,14,16,20-27,29-31,34,36-37H,9-11,13,15,17-18H2,1-8H3,(H2,33,38)/b14-12-,19-16-/t20-,21+,22+,23+,24+,25+,26-,27+,29+,30-,31+/m1/s1
• InChIKey: HTDAVHMDYSADCF-ZGBRNSSHSA-N
• XLogP: 5.53
• TPSA: 139.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.81
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxooxan-2-yl]nonadeca-11,16-dien-6-yl] carbamate?

The IUPAC name of [(5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxooxan-2-yl]nonadeca-11,16-dien-6-yl] carbamate (CID 11584966) is [(5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxooxan-2-yl]nonadeca-11,16-dien-6-yl] carbamate.

What is the SMILES notation for [(5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxooxan-2-yl]nonadeca-11,16-dien-6-yl] carbamate?

The canonical SMILES for [(5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxooxan-2-yl]nonadeca-11,16-dien-6-yl] carbamate is CCCC[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)CC[C@H]1C.

What is the InChIKey of [(5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxooxan-2-yl]nonadeca-11,16-dien-6-yl] carbamate?

The InChIKey is HTDAVHMDYSADCF-ZGBRNSSHSA-N. The full InChI is InChI=1S/C32H57NO7/c1-9-10-11-22(5)31(40-32(33)38)25(8)30(37)24(7)17-19(2)16-23(6)29(36)21(4)12-14-26(34)18-27-20(3)13-15-28(35)39-27/h12,14,16,20-27,29-31,34,36-37H,9-11,13,15,17-18H2,1-8H3,(H2,33,38)/b14-12-,19-16-/t20-,21+,22+,23+,24+,25+,26-,27+,29+,30-,31+/m1/s1.

What are the key properties of [(5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxooxan-2-yl]nonadeca-11,16-dien-6-yl] carbamate?

[(5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxooxan-2-yl]nonadeca-11,16-dien-6-yl] carbamate has a molecular weight of 567.81 g/mol, XLogP of 5.53, 17 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-5,7,9,11,13,15-hexamethyl-19-[(2S,3R)-3-methyl-6-oxooxan-2-yl]nonadeca-11,16-dien-6-yl] carbamate is sourced from PubChem (CID 11584966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).