(2R,4R,6S,7S,9Z,12S)-6,16-dihydroxy-7,18-dimethoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione

C20H24O8 — CID 102087754

IUPAC(2R,4R,6S,7S,9Z,12S)-6,16-dihydroxy-7,18-dimethoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione
SMILESCOc1cc(O)c2c(c1)[C@H]1O[C@@H]1C[C@H](O)[C@H](OC)C(=O)/C=C\C[C@H](C)OC2=O
InChIInChI=1S/C20H24O8/c1-10-5-4-6-13(21)19(26-3)15(23)9-16-18(28-16)12-7-11(25-2)8-14(22)17(12)20(24)27-10/h4,6-8,10,15-16,18-19,22-23H,5,9H2,1-3H3/b6-4-/t10-,15-,16+,18+,19+/m0/s1
InChIKeyFUDIJNCZBYVEHO-BREUNEBNSA-N
MW392.40 g/mol
LogP1.68
Rot. Bonds2

About (2R,4R,6S,7S,9Z,12S)-6,16-dihydroxy-7,18-dimethoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione

(2R,4R,6S,7S,9Z,12S)-6,16-dihydroxy-7,18-dimethoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione (PubChem CID 102087754) has the molecular formula C20H24O8 and a molecular weight of 392.40 g/mol. Its IUPAC name is (2R,4R,6S,7S,9Z,12S)-6,16-dihydroxy-7,18-dimethoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione.

Molecular Properties

Compound Name(2R,4R,6S,7S,9Z,12S)-6,16-dihydroxy-7,18-dimethoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione
PubChem CID102087754
Molecular FormulaC20H24O8
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC Name(2R,4R,6S,7S,9Z,12S)-6,16-dihydroxy-7,18-dimethoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione
SMILESCOc1cc(O)c2c(c1)[C@H]1O[C@@H]1C[C@H](O)[C@H](OC)C(=O)/C=C\C[C@H](C)OC2=O
InChIInChI=1S/C20H24O8/c1-10-5-4-6-13(21)19(26-3)15(23)9-16-18(28-16)12-7-11(25-2)8-14(22)17(12)20(24)27-10/h4,6-8,10,15-16,18-19,22-23H,5,9H2,1-3H3/b6-4-/t10-,15-,16+,18+,19+/m0/s1
InChIKeyFUDIJNCZBYVEHO-BREUNEBNSA-N
XLogP1.68
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R,4R,6S,7S,9Z,12S)-6,16-dihydroxy-7,18-dimethoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,6S,7S,9Z,12S)-6,7,16-trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione
CID 168972845
(2S,4S,6S,7S,9Z,12S)-6,7,16-trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione
CID 154584061
(2R,4R,6S,7S,9E,12S)-6,7,16-trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione
CID 11728572
(2R,4R,6S,10S,12E,15S)-19-hydroxy-21-methoxy-8,8,15-trimethyl-3,7,9,16-tetraoxatetracyclo[16.4.0.02,4.06,10]docosa-1(18),12,19,21-tetraene-11,17-dione
CID 11122608
6,7,16,18-tetrahydroxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione
CID 73228823
(6S,7S,9Z,12S)-6,7,16-trihydroxy-18-methoxy-12-methyl-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione
CID 59466773
methyl (2R,4R,6S,7R,8Z,11S)-6,7,15-trihydroxy-17-methoxy-11-methyl-13-oxo-3,12-dioxatricyclo[12.4.0.02,4]octadeca-1(14),8,15,17-tetraene-7-carboxylate
CID 163185620
methyl (2R,4R,6S,8E,11S)-6,7,15-trihydroxy-17-methoxy-11-methyl-13-oxo-3,12-dioxatricyclo[12.4.0.02,4]octadeca-1(14),8,15,17-tetraene-7-carboxylate
CID 101464742
(4S,6E,9R,10R)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 156580487
(4S,9S,10S,12Z)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 163036879
(2R,4S,6S,7S,9Z,12S)-6,7,16-trihydroxy-12-methyl-18-(4-morpholin-4-ylbutoxy)-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione
CID 58623820
sulfane;(6Z,9S,10S,12E)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 134694197

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6S,7S,9Z,12S)-6,16-dihydroxy-7,18-dimethoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione?
The IUPAC name of (2R,4R,6S,7S,9Z,12S)-6,16-dihydroxy-7,18-dimethoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione (CID 102087754) is (2R,4R,6S,7S,9Z,12S)-6,16-dihydroxy-7,18-dimethoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione.
What is the SMILES notation for (2R,4R,6S,7S,9Z,12S)-6,16-dihydroxy-7,18-dimethoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione?
The canonical SMILES for (2R,4R,6S,7S,9Z,12S)-6,16-dihydroxy-7,18-dimethoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione is COc1cc(O)c2c(c1)[C@H]1O[C@@H]1C[C@H](O)[C@H](OC)C(=O)/C=C\C[C@H](C)OC2=O.
What is the InChIKey of (2R,4R,6S,7S,9Z,12S)-6,16-dihydroxy-7,18-dimethoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione?
The InChIKey is FUDIJNCZBYVEHO-BREUNEBNSA-N. The full InChI is InChI=1S/C20H24O8/c1-10-5-4-6-13(21)19(26-3)15(23)9-16-18(28-16)12-7-11(25-2)8-14(22)17(12)20(24)27-10/h4,6-8,10,15-16,18-19,22-23H,5,9H2,1-3H3/b6-4-/t10-,15-,16+,18+,19+/m0/s1.
What are the key properties of (2R,4R,6S,7S,9Z,12S)-6,16-dihydroxy-7,18-dimethoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione?
(2R,4R,6S,7S,9Z,12S)-6,16-dihydroxy-7,18-dimethoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione has a molecular weight of 392.40 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S,7S,9Z,12S)-6,16-dihydroxy-7,18-dimethoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione is sourced from PubChem (CID 102087754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).