(1S,2S,6S,7S,9R,17R)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione

C22H26O6 — CID 155564882

IUPAC(1S,2S,6S,7S,9R,17R)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione
SMILESCOC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C=C4C(C)=C(OC)C(=O)[C@@H]([C@]43C)[C@@]2(C)C1=O
InChIInChI=1S/C22H26O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,9-10,12,15,19H,8H2,1-6H3/t10-,12+,15-,19+,21-,22+/m1/s1
InChIKeyUDJAFGYLVCUXEY-NPGSFYTASA-N
MW386.44 g/mol
LogP2.74
Rot. Bonds2

About (1S,2S,6S,7S,9R,17R)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione

(1S,2S,6S,7S,9R,17R)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione (PubChem CID 155564882) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is (1S,2S,6S,7S,9R,17R)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione.

Molecular Properties

Compound Name(1S,2S,6S,7S,9R,17R)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione
PubChem CID155564882
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name(1S,2S,6S,7S,9R,17R)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione
SMILESCOC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C=C4C(C)=C(OC)C(=O)[C@@H]([C@]43C)[C@@]2(C)C1=O
InChIInChI=1S/C22H26O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,9-10,12,15,19H,8H2,1-6H3/t10-,12+,15-,19+,21-,22+/m1/s1
InChIKeyUDJAFGYLVCUXEY-NPGSFYTASA-N
XLogP2.74
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S,2S,6S,7S,9R,17R)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S,7S,9R,17R)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione?
The IUPAC name of (1S,2S,6S,7S,9R,17R)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione (CID 155564882) is (1S,2S,6S,7S,9R,17R)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione.
What is the SMILES notation for (1S,2S,6S,7S,9R,17R)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione?
The canonical SMILES for (1S,2S,6S,7S,9R,17R)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione is COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C=C4C(C)=C(OC)C(=O)[C@@H]([C@]43C)[C@@]2(C)C1=O.
What is the InChIKey of (1S,2S,6S,7S,9R,17R)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione?
The InChIKey is UDJAFGYLVCUXEY-NPGSFYTASA-N. The full InChI is InChI=1S/C22H26O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,9-10,12,15,19H,8H2,1-6H3/t10-,12+,15-,19+,21-,22+/m1/s1.
What are the key properties of (1S,2S,6S,7S,9R,17R)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione?
(1S,2S,6S,7S,9R,17R)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione has a molecular weight of 386.44 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S,7S,9R,17R)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione is sourced from PubChem (CID 155564882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).