[(3Z,5S,6S,7S,8R,9S)-8-hydroxy-11-[(1S,2S,3S,4S,5S)-4-hydroxy-2-[(E)-3-[(2R,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]prop-1-enyl]-3,5-dimethylcyclopentyl]-5,7,9-trimethyldodeca-1,3,11-trien-6-yl] carbamate

C33H53NO7 — CID 11215307

About [(3Z,5S,6S,7S,8R,9S)-8-hydroxy-11-[(1S,2S,3S,4S,5S)-4-hydroxy-2-[(E)-3-[(2R,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]prop-1-enyl]-3,5-dimethylcyclopentyl]-5,7,9-trimethyldodeca-1,3,11-trien-6-yl] carbamate

[(3Z,5S,6S,7S,8R,9S)-8-hydroxy-11-[(1S,2S,3S,4S,5S)-4-hydroxy-2-[(E)-3-[(2R,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]prop-1-enyl]-3,5-dimethylcyclopentyl]-5,7,9-trimethyldodeca-1,3,11-trien-6-yl] carbamate (PubChem CID 11215307) has the molecular formula C33H53NO7 and a molecular weight of 575.79 g/mol. Its IUPAC name is [(3Z,5S,6S,7S,8R,9S)-8-hydroxy-11-[(1S,2S,3S,4S,5S)-4-hydroxy-2-[(E)-3-[(2R,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]prop-1-enyl]-3,5-dimethylcyclopentyl]-5,7,9-trimethyldodeca-1,3,11-trien-6-yl] carbamate.

Molecular Properties

• Compound Name: [(3Z,5S,6S,7S,8R,9S)-8-hydroxy-11-[(1S,2S,3S,4S,5S)-4-hydroxy-2-[(E)-3-[(2R,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]prop-1-enyl]-3,5-dimethylcyclopentyl]-5,7,9-trimethyldodeca-1,3,11-trien-6-yl] carbamate
• PubChem CID: 11215307
• Molecular Formula: C33H53NO7
• Molecular Weight: 575.79 g/mol
• Exact Mass: 575.38
• IUPAC Name: [(3Z,5S,6S,7S,8R,9S)-8-hydroxy-11-[(1S,2S,3S,4S,5S)-4-hydroxy-2-[(E)-3-[(2R,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]prop-1-enyl]-3,5-dimethylcyclopentyl]-5,7,9-trimethyldodeca-1,3,11-trien-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)CC(=C)[C@@H]1[C@H](C)[C@@H](O)[C@@H](C)[C@H]1/C=C/C[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C
• InChI: InChI=1S/C33H53NO7/c1-10-11-13-17(2)31(41-33(34)39)23(8)28(35)19(4)16-18(3)27-22(7)29(36)20(5)25(27)14-12-15-26-21(6)30(37)24(9)32(38)40-26/h10-14,17,19-31,35-37H,1,3,15-16H2,2,4-9H3,(H2,34,39)/b13-11-,14-12+/t17-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29-,30-,31-/m0/s1
• InChIKey: LCGMBSDFDYCBPB-IZYGUNJESA-N
• XLogP: 4.79
• TPSA: 139.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.79
LogP ≤ 5	4.79
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)-8-hydroxy-11-[(1S,2S,3S,4S,5S)-4-hydroxy-2-[(E)-3-[(2R,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]prop-1-enyl]-3,5-dimethylcyclopentyl]-5,7,9-trimethyldodeca-1,3,11-trien-6-yl] carbamate?

The IUPAC name of [(3Z,5S,6S,7S,8R,9S)-8-hydroxy-11-[(1S,2S,3S,4S,5S)-4-hydroxy-2-[(E)-3-[(2R,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]prop-1-enyl]-3,5-dimethylcyclopentyl]-5,7,9-trimethyldodeca-1,3,11-trien-6-yl] carbamate (CID 11215307) is [(3Z,5S,6S,7S,8R,9S)-8-hydroxy-11-[(1S,2S,3S,4S,5S)-4-hydroxy-2-[(E)-3-[(2R,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]prop-1-enyl]-3,5-dimethylcyclopentyl]-5,7,9-trimethyldodeca-1,3,11-trien-6-yl] carbamate.

What is the SMILES notation for [(3Z,5S,6S,7S,8R,9S)-8-hydroxy-11-[(1S,2S,3S,4S,5S)-4-hydroxy-2-[(E)-3-[(2R,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]prop-1-enyl]-3,5-dimethylcyclopentyl]-5,7,9-trimethyldodeca-1,3,11-trien-6-yl] carbamate?

The canonical SMILES for [(3Z,5S,6S,7S,8R,9S)-8-hydroxy-11-[(1S,2S,3S,4S,5S)-4-hydroxy-2-[(E)-3-[(2R,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]prop-1-enyl]-3,5-dimethylcyclopentyl]-5,7,9-trimethyldodeca-1,3,11-trien-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)CC(=C)[C@@H]1[C@H](C)[C@@H](O)[C@@H](C)[C@H]1/C=C/C[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C.

What is the InChIKey of [(3Z,5S,6S,7S,8R,9S)-8-hydroxy-11-[(1S,2S,3S,4S,5S)-4-hydroxy-2-[(E)-3-[(2R,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]prop-1-enyl]-3,5-dimethylcyclopentyl]-5,7,9-trimethyldodeca-1,3,11-trien-6-yl] carbamate?

The InChIKey is LCGMBSDFDYCBPB-IZYGUNJESA-N. The full InChI is InChI=1S/C33H53NO7/c1-10-11-13-17(2)31(41-33(34)39)23(8)28(35)19(4)16-18(3)27-22(7)29(36)20(5)25(27)14-12-15-26-21(6)30(37)24(9)32(38)40-26/h10-14,17,19-31,35-37H,1,3,15-16H2,2,4-9H3,(H2,34,39)/b13-11-,14-12+/t17-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29-,30-,31-/m0/s1.

What are the key properties of [(3Z,5S,6S,7S,8R,9S)-8-hydroxy-11-[(1S,2S,3S,4S,5S)-4-hydroxy-2-[(E)-3-[(2R,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]prop-1-enyl]-3,5-dimethylcyclopentyl]-5,7,9-trimethyldodeca-1,3,11-trien-6-yl] carbamate?

[(3Z,5S,6S,7S,8R,9S)-8-hydroxy-11-[(1S,2S,3S,4S,5S)-4-hydroxy-2-[(E)-3-[(2R,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]prop-1-enyl]-3,5-dimethylcyclopentyl]-5,7,9-trimethyldodeca-1,3,11-trien-6-yl] carbamate has a molecular weight of 575.79 g/mol, XLogP of 4.79, 13 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)-8-hydroxy-11-[(1S,2S,3S,4S,5S)-4-hydroxy-2-[(E)-3-[(2R,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]prop-1-enyl]-3,5-dimethylcyclopentyl]-5,7,9-trimethyldodeca-1,3,11-trien-6-yl] carbamate is sourced from PubChem (CID 11215307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).