[(2R,3S,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(1R,2Z,4S,5R,9R,11S,12S)-11-hydroxy-1-methoxy-8,12-dimethyl-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methoxy]oxan-3-yl] acetate

About [(2R,3S,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(1R,2Z,4S,5R,9R,11S,12S)-11-hydroxy-1-methoxy-8,12-dimethyl-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methoxy]oxan-3-yl] acetate

[(2R,3S,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(1R,2Z,4S,5R,9R,11S,12S)-11-hydroxy-1-methoxy-8,12-dimethyl-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methoxy]oxan-3-yl] acetate (PubChem CID 11083193) has the molecular formula C40H70O9Si2 and a molecular weight of 751.16 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(1R,2Z,4S,5R,9R,11S,12S)-11-hydroxy-1-methoxy-8,12-dimethyl-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methoxy]oxan-3-yl] acetate.

Molecular Properties

Compound Name	[(2R,3S,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(1R,2Z,4S,5R,9R,11S,12S)-11-hydroxy-1-methoxy-8,12-dimethyl-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methoxy]oxan-3-yl] acetate
PubChem CID	11083193
Molecular Formula	C40H70O9Si2
Molecular Weight	751.16 g/mol
Exact Mass	750.46
IUPAC Name	[(2R,3S,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(1R,2Z,4S,5R,9R,11S,12S)-11-hydroxy-1-methoxy-8,12-dimethyl-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methoxy]oxan-3-yl] acetate
SMILES	CO[C@]12C=C[C@](C)(O1)[C@@H](O)C[C@H]1C(C)=CC[C@H](C(C)C)[C@H]1/C=C\2CO[C@@H]1OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)=O
InChI	InChI=1S/C40H70O9Si2/c1-25(2)29-18-17-26(3)30-22-33(42)39(11)19-20-40(43-12,49-39)28(21-31(29)30)23-44-36-35(46-27(4)41)34(48-51(15,16)38(8,9)10)32(24-45-36)47-50(13,14)37(5,6)7/h17,19-21,25,29-36,42H,18,22-24H2,1-16H3/b28-21-/t29-,30+,31-,32-,33+,34-,35+,36-,39+,40-/m1/s1
InChIKey	YXPDYOGGNARDKT-RPQHVRPASA-N
XLogP	8.31
TPSA	101.91 Å²
H-Bond Donors	1
H-Bond Acceptors	9
Rotatable Bonds	10
Heavy Atoms	51
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.16
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(1R,2Z,4S,5R,9R,11S,12S)-11-hydroxy-1-methoxy-8,12-dimethyl-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methoxy]oxan-3-yl] acetate?

The IUPAC name of [(2R,3S,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(1R,2Z,4S,5R,9R,11S,12S)-11-hydroxy-1-methoxy-8,12-dimethyl-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methoxy]oxan-3-yl] acetate (CID 11083193) is [(2R,3S,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(1R,2Z,4S,5R,9R,11S,12S)-11-hydroxy-1-methoxy-8,12-dimethyl-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methoxy]oxan-3-yl] acetate.

What is the SMILES notation for [(2R,3S,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(1R,2Z,4S,5R,9R,11S,12S)-11-hydroxy-1-methoxy-8,12-dimethyl-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methoxy]oxan-3-yl] acetate?

The canonical SMILES for [(2R,3S,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(1R,2Z,4S,5R,9R,11S,12S)-11-hydroxy-1-methoxy-8,12-dimethyl-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methoxy]oxan-3-yl] acetate is CO[C@]12C=C[C@](C)(O1)[C@@H](O)C[C@H]1C(C)=CC[C@H](C(C)C)[C@H]1/C=C\2CO[C@@H]1OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)=O.

What is the InChIKey of [(2R,3S,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(1R,2Z,4S,5R,9R,11S,12S)-11-hydroxy-1-methoxy-8,12-dimethyl-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methoxy]oxan-3-yl] acetate?

The InChIKey is YXPDYOGGNARDKT-RPQHVRPASA-N. The full InChI is InChI=1S/C40H70O9Si2/c1-25(2)29-18-17-26(3)30-22-33(42)39(11)19-20-40(43-12,49-39)28(21-31(29)30)23-44-36-35(46-27(4)41)34(48-51(15,16)38(8,9)10)32(24-45-36)47-50(13,14)37(5,6)7/h17,19-21,25,29-36,42H,18,22-24H2,1-16H3/b28-21-/t29-,30+,31-,32-,33+,34-,35+,36-,39+,40-/m1/s1.

What are the key properties of [(2R,3S,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(1R,2Z,4S,5R,9R,11S,12S)-11-hydroxy-1-methoxy-8,12-dimethyl-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methoxy]oxan-3-yl] acetate?

[(2R,3S,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(1R,2Z,4S,5R,9R,11S,12S)-11-hydroxy-1-methoxy-8,12-dimethyl-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methoxy]oxan-3-yl] acetate has a molecular weight of 751.16 g/mol, XLogP of 8.31, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(1R,2Z,4S,5R,9R,11S,12S)-11-hydroxy-1-methoxy-8,12-dimethyl-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-trien-2-yl]methoxy]oxan-3-yl] acetate is sourced from PubChem (CID 11083193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).