[5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methanol;[(2R)-5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methyl 2,2-dimethylpropanoate

C65H108O11 — CID 161149758

About [5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methanol;[(2R)-5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methyl 2,2-dimethylpropanoate

[5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methanol;[(2R)-5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 161149758) has the molecular formula C65H108O11 and a molecular weight of 1065.57 g/mol. Its IUPAC name is [5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methanol;[(2R)-5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methanol;[(2R)-5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methyl 2,2-dimethylpropanoate
• PubChem CID: 161149758
• Molecular Formula: C65H108O11
• Molecular Weight: 1065.57 g/mol
• Exact Mass: 1064.79
• IUPAC Name: [5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methanol;[(2R)-5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methyl 2,2-dimethylpropanoate
• SMILES: C=C1CC(CO)OC1CC[C@H]1C[C@@H](C)C(=C)C(C[C@@H]2O[C@H]3C[C@@H](C)[C@@H](CCC)O[C@H]3[C@H](C)[C@H]2C)O1.C=C1C[C@H](COC(=O)C(C)(C)C)OC1CC[C@H]1C[C@@H](C)C(=C)C(C[C@@H]2O[C@H]3C[C@@H](C)[C@@H](CCC)O[C@H]3[C@H](C)[C@H]2C)O1
• InChI: InChI=1S/C35H58O6.C30H50O5/c1-11-12-28-22(4)17-32-33(41-28)25(7)24(6)31(40-32)18-30-23(5)20(2)15-26(38-30)13-14-29-21(3)16-27(39-29)19-37-34(36)35(8,9)10;1-8-9-25-19(4)14-29-30(35-25)22(7)21(6)28(34-29)15-27-20(5)17(2)12-23(32-27)10-11-26-18(3)13-24(16-31)33-26/h20,22,24-33H,3,5,11-19H2,1-2,4,6-10H3;17,19,21-31H,3,5,8-16H2,1-2,4,6-7H3/t20-,22-,24-,25-,26+,27-,28-,29?,30?,31+,32+,33+;17-,19-,21-,22-,23+,24?,25-,26?,27?,28+,29+,30+/m11/s1
• InChIKey: UONDENFFJLBAJP-WIGDHURVSA-N
• XLogP: 13.29
• TPSA: 120.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1065.57
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methanol;[(2R)-5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methyl 2,2-dimethylpropanoate?

The IUPAC name of [5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methanol;[(2R)-5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methyl 2,2-dimethylpropanoate (CID 161149758) is [5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methanol;[(2R)-5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methyl 2,2-dimethylpropanoate.

What is the SMILES notation for [5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methanol;[(2R)-5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methyl 2,2-dimethylpropanoate?

The canonical SMILES for [5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methanol;[(2R)-5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methyl 2,2-dimethylpropanoate is C=C1CC(CO)OC1CC[C@H]1C[C@@H](C)C(=C)C(C[C@@H]2O[C@H]3C[C@@H](C)[C@@H](CCC)O[C@H]3[C@H](C)[C@H]2C)O1.C=C1C[C@H](COC(=O)C(C)(C)C)OC1CC[C@H]1C[C@@H](C)C(=C)C(C[C@@H]2O[C@H]3C[C@@H](C)[C@@H](CCC)O[C@H]3[C@H](C)[C@H]2C)O1.

What is the InChIKey of [5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methanol;[(2R)-5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methyl 2,2-dimethylpropanoate?

The InChIKey is UONDENFFJLBAJP-WIGDHURVSA-N. The full InChI is InChI=1S/C35H58O6.C30H50O5/c1-11-12-28-22(4)17-32-33(41-28)25(7)24(6)31(40-32)18-30-23(5)20(2)15-26(38-30)13-14-29-21(3)16-27(39-29)19-37-34(36)35(8,9)10;1-8-9-25-19(4)14-29-30(35-25)22(7)21(6)28(34-29)15-27-20(5)17(2)12-23(32-27)10-11-26-18(3)13-24(16-31)33-26/h20,22,24-33H,3,5,11-19H2,1-2,4,6-10H3;17,19,21-31H,3,5,8-16H2,1-2,4,6-7H3/t20-,22-,24-,25-,26+,27-,28-,29?,30?,31+,32+,33+;17-,19-,21-,22-,23+,24?,25-,26?,27?,28+,29+,30+/m11/s1.

What are the key properties of [5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methanol;[(2R)-5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methyl 2,2-dimethylpropanoate?

[5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methanol;[(2R)-5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 1065.57 g/mol, XLogP of 13.29, 17 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methanol;[(2R)-5-[2-[(2S,4R)-6-[[(2S,3R,4R,4aS,6R,7R,8aS)-3,4,7-trimethyl-6-propyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 161149758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).