[(2S,3R,4R,5R,8R,11S,14R,15R)-15-hydroxy-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate

C23H38O6 — CID 44566428

IUPAC[(2S,3R,4R,5R,8R,11S,14R,15R)-15-hydroxy-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate
SMILESCO[C@@H]1CC[C@]2(C)OC[C@H](C)C3C[C@@H](C)[C@@H](OC(C)=O)[C@H]4C(C[C@@]1(C)O)OC2[C@@H]34
InChIInChI=1S/C23H38O6/c1-12-9-15-13(2)11-27-23(5)8-7-17(26-6)22(4,25)10-16-19(18(15)21(23)29-16)20(12)28-14(3)24/h12-13,15-21,25H,7-11H2,1-6H3/t12-,13+,15?,16?,17-,18+,19+,20-,21?,22-,23+/m1/s1
InChIKeySHHCCZSDXWGINH-VWIFSDQYSA-N
MW410.55 g/mol
LogP2.95
Rot. Bonds2

About [(2S,3R,4R,5R,8R,11S,14R,15R)-15-hydroxy-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate

[(2S,3R,4R,5R,8R,11S,14R,15R)-15-hydroxy-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate (PubChem CID 44566428) has the molecular formula C23H38O6 and a molecular weight of 410.55 g/mol. Its IUPAC name is [(2S,3R,4R,5R,8R,11S,14R,15R)-15-hydroxy-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate.

Molecular Properties

Compound Name[(2S,3R,4R,5R,8R,11S,14R,15R)-15-hydroxy-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate
PubChem CID44566428
Molecular FormulaC23H38O6
Molecular Weight410.55 g/mol
Exact Mass410.27
IUPAC Name[(2S,3R,4R,5R,8R,11S,14R,15R)-15-hydroxy-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate
SMILESCO[C@@H]1CC[C@]2(C)OC[C@H](C)C3C[C@@H](C)[C@@H](OC(C)=O)[C@H]4C(C[C@@]1(C)O)OC2[C@@H]34
InChIInChI=1S/C23H38O6/c1-12-9-15-13(2)11-27-23(5)8-7-17(26-6)22(4,25)10-16-19(18(15)21(23)29-16)20(12)28-14(3)24/h12-13,15-21,25H,7-11H2,1-6H3/t12-,13+,15?,16?,17-,18+,19+,20-,21?,22-,23+/m1/s1
InChIKeySHHCCZSDXWGINH-VWIFSDQYSA-N
XLogP2.95
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S,3R,4R,5R,8R,11S,14R,15R)-15-hydroxy-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5R,8R,11S,14R,15R)-15-hydroxy-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate?
The IUPAC name of [(2S,3R,4R,5R,8R,11S,14R,15R)-15-hydroxy-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate (CID 44566428) is [(2S,3R,4R,5R,8R,11S,14R,15R)-15-hydroxy-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate.
What is the SMILES notation for [(2S,3R,4R,5R,8R,11S,14R,15R)-15-hydroxy-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate?
The canonical SMILES for [(2S,3R,4R,5R,8R,11S,14R,15R)-15-hydroxy-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate is CO[C@@H]1CC[C@]2(C)OC[C@H](C)C3C[C@@H](C)[C@@H](OC(C)=O)[C@H]4C(C[C@@]1(C)O)OC2[C@@H]34.
What is the InChIKey of [(2S,3R,4R,5R,8R,11S,14R,15R)-15-hydroxy-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate?
The InChIKey is SHHCCZSDXWGINH-VWIFSDQYSA-N. The full InChI is InChI=1S/C23H38O6/c1-12-9-15-13(2)11-27-23(5)8-7-17(26-6)22(4,25)10-16-19(18(15)21(23)29-16)20(12)28-14(3)24/h12-13,15-21,25H,7-11H2,1-6H3/t12-,13+,15?,16?,17-,18+,19+,20-,21?,22-,23+/m1/s1.
What are the key properties of [(2S,3R,4R,5R,8R,11S,14R,15R)-15-hydroxy-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate?
[(2S,3R,4R,5R,8R,11S,14R,15R)-15-hydroxy-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate has a molecular weight of 410.55 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5R,8R,11S,14R,15R)-15-hydroxy-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate is sourced from PubChem (CID 44566428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).