(1R,2S,6R,7S,10R,11S,13R,15R,16R,19R)-6-hydroxy-7-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-ene-12,18-dione

C34H50O13 — CID 10908516

About (1R,2S,6R,7S,10R,11S,13R,15R,16R,19R)-6-hydroxy-7-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-ene-12,18-dione

(1R,2S,6R,7S,10R,11S,13R,15R,16R,19R)-6-hydroxy-7-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-ene-12,18-dione (PubChem CID 10908516) has the molecular formula C34H50O13 and a molecular weight of 666.76 g/mol. Its IUPAC name is (1R,2S,6R,7S,10R,11S,13R,15R,16R,19R)-6-hydroxy-7-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-ene-12,18-dione.

Molecular Properties

• Compound Name: (1R,2S,6R,7S,10R,11S,13R,15R,16R,19R)-6-hydroxy-7-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-ene-12,18-dione
• PubChem CID: 10908516
• Molecular Formula: C34H50O13
• Molecular Weight: 666.76 g/mol
• Exact Mass: 666.33
• IUPAC Name: (1R,2S,6R,7S,10R,11S,13R,15R,16R,19R)-6-hydroxy-7-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-ene-12,18-dione
• SMILES: CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@H]5C(=O)C[C@H]6[C@@H](C)O[C@@H](C(=O)[C@@H]43)[C@@]56C)[C@H]2O)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C34H50O13/c1-13-17-10-18(36)23-15-6-7-16-25(37)19(8-9-33(16,3)24(15)27(39)31(44-13)34(17,23)4)45-22-11-20(42-5)30(14(2)43-22)47-32-29(41)28(40)26(38)21(12-35)46-32/h7,13-15,17,19-26,28-32,35,37-38,40-41H,6,8-12H2,1-5H3/t13-,14-,15+,17+,19+,20-,21-,22+,23+,24-,25-,26-,28+,29-,30-,31+,32+,33+,34-/m1/s1
• InChIKey: YJZKBQIMWLXPOI-WHWPVLBLSA-N
• XLogP: 0.01
• TPSA: 190.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.76
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S,10R,11S,13R,15R,16R,19R)-6-hydroxy-7-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-ene-12,18-dione?

The IUPAC name of (1R,2S,6R,7S,10R,11S,13R,15R,16R,19R)-6-hydroxy-7-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-ene-12,18-dione (CID 10908516) is (1R,2S,6R,7S,10R,11S,13R,15R,16R,19R)-6-hydroxy-7-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-ene-12,18-dione.

What is the SMILES notation for (1R,2S,6R,7S,10R,11S,13R,15R,16R,19R)-6-hydroxy-7-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-ene-12,18-dione?

The canonical SMILES for (1R,2S,6R,7S,10R,11S,13R,15R,16R,19R)-6-hydroxy-7-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-ene-12,18-dione is CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@H]5C(=O)C[C@H]6[C@@H](C)O[C@@H](C(=O)[C@@H]43)[C@@]56C)[C@H]2O)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.

What is the InChIKey of (1R,2S,6R,7S,10R,11S,13R,15R,16R,19R)-6-hydroxy-7-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-ene-12,18-dione?

The InChIKey is YJZKBQIMWLXPOI-WHWPVLBLSA-N. The full InChI is InChI=1S/C34H50O13/c1-13-17-10-18(36)23-15-6-7-16-25(37)19(8-9-33(16,3)24(15)27(39)31(44-13)34(17,23)4)45-22-11-20(42-5)30(14(2)43-22)47-32-29(41)28(40)26(38)21(12-35)46-32/h7,13-15,17,19-26,28-32,35,37-38,40-41H,6,8-12H2,1-5H3/t13-,14-,15+,17+,19+,20-,21-,22+,23+,24-,25-,26-,28+,29-,30-,31+,32+,33+,34-/m1/s1.

What are the key properties of (1R,2S,6R,7S,10R,11S,13R,15R,16R,19R)-6-hydroxy-7-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-ene-12,18-dione?

(1R,2S,6R,7S,10R,11S,13R,15R,16R,19R)-6-hydroxy-7-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-ene-12,18-dione has a molecular weight of 666.76 g/mol, XLogP of 0.01, 6 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,6R,7S,10R,11S,13R,15R,16R,19R)-6-hydroxy-7-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-ene-12,18-dione is sourced from PubChem (CID 10908516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).