(1R,2'R,10R,11R,15S,17S)-1,10-dihydroxy-2'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7-triene-17,6'-2,3-dihydropyran]-2,9,13-trione

C20H18O8 — CID 162808142

IUPAC(1R,2'R,10R,11R,15S,17S)-1,10-dihydroxy-2'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7-triene-17,6'-2,3-dihydropyran]-2,9,13-trione
SMILESC[C@@H]1CC=C[C@]2(O1)O[C@H]1CC(=O)O[C@H]1[C@]1(O)C(=O)c3ccccc3C(=O)[C@@]21O
InChIInChI=1S/C20H18O8/c1-10-5-4-8-18(27-10)20(25)16(23)12-7-3-2-6-11(12)15(22)19(20,24)17-13(28-18)9-14(21)26-17/h2-4,6-8,10,13,17,24-25H,5,9H2,1H3/t10-,13+,17-,18+,19-,20-/m1/s1
InChIKeyJKAIEKBRNSNOJC-HEYNBSBWSA-N
MW386.36 g/mol
LogP0.30
Rot. Bonds

About (1R,2'R,10R,11R,15S,17S)-1,10-dihydroxy-2'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7-triene-17,6'-2,3-dihydropyran]-2,9,13-trione

(1R,2'R,10R,11R,15S,17S)-1,10-dihydroxy-2'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7-triene-17,6'-2,3-dihydropyran]-2,9,13-trione (PubChem CID 162808142) has the molecular formula C20H18O8 and a molecular weight of 386.36 g/mol. Its IUPAC name is (1R,2'R,10R,11R,15S,17S)-1,10-dihydroxy-2'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7-triene-17,6'-2,3-dihydropyran]-2,9,13-trione.

Molecular Properties

Compound Name(1R,2'R,10R,11R,15S,17S)-1,10-dihydroxy-2'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7-triene-17,6'-2,3-dihydropyran]-2,9,13-trione
PubChem CID162808142
Molecular FormulaC20H18O8
Molecular Weight386.36 g/mol
Exact Mass386.10
IUPAC Name(1R,2'R,10R,11R,15S,17S)-1,10-dihydroxy-2'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7-triene-17,6'-2,3-dihydropyran]-2,9,13-trione
SMILESC[C@@H]1CC=C[C@]2(O1)O[C@H]1CC(=O)O[C@H]1[C@]1(O)C(=O)c3ccccc3C(=O)[C@@]21O
InChIInChI=1S/C20H18O8/c1-10-5-4-8-18(27-10)20(25)16(23)12-7-3-2-6-11(12)15(22)19(20,24)17-13(28-18)9-14(21)26-17/h2-4,6-8,10,13,17,24-25H,5,9H2,1H3/t10-,13+,17-,18+,19-,20-/m1/s1
InChIKeyJKAIEKBRNSNOJC-HEYNBSBWSA-N
XLogP0.30
TPSA119.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2'R,10R,11R,15S,17S)-1,10-dihydroxy-2'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7-triene-17,6'-2,3-dihydropyran]-2,9,13-trione with MolForge

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Related Compounds

(6'S,11S,15S,17R)-6'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,2'-oxane]-2,9,13-trione
CID 14588236
(3'S,4'S,6'S,11R,15R,17R)-3',4,4'-trihydroxy-6'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-17,2'-oxane]-2,9,13-trione
CID 10501267
2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione
CID 70396828
(4S,8R,12R)-4,8-dihydroxy-12-methyl-1-oxacyclododeca-5,9-dien-2-one
CID 139587617
(4S,8S,12R)-4,8-dihydroxy-12-methyl-1-oxacyclododeca-5,9-dien-2-one
CID 139585365
3,6-dimethyl-3,4,5,6-tetrahydro-2,7-benzodioxecine-1,8-dione
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CID 12592524
CID 12592524
2,5-dimethylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione
CID 568829
(3'S,6'R,11R,15S,17R)-3',4-dihydroxy-6'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-17,2'-oxane]-2,4',9,13-tetrone
CID 163016814
(2R)-2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
CID 14120941
(1S,3R,7S,8E,11S,12R)-7,11-dihydroxy-3-methyl-4,13-dioxabicyclo[10.1.0]tridec-8-en-5-one
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Frequently Asked Questions

What is the IUPAC name of (1R,2'R,10R,11R,15S,17S)-1,10-dihydroxy-2'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7-triene-17,6'-2,3-dihydropyran]-2,9,13-trione?
The IUPAC name of (1R,2'R,10R,11R,15S,17S)-1,10-dihydroxy-2'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7-triene-17,6'-2,3-dihydropyran]-2,9,13-trione (CID 162808142) is (1R,2'R,10R,11R,15S,17S)-1,10-dihydroxy-2'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7-triene-17,6'-2,3-dihydropyran]-2,9,13-trione.
What is the SMILES notation for (1R,2'R,10R,11R,15S,17S)-1,10-dihydroxy-2'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7-triene-17,6'-2,3-dihydropyran]-2,9,13-trione?
The canonical SMILES for (1R,2'R,10R,11R,15S,17S)-1,10-dihydroxy-2'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7-triene-17,6'-2,3-dihydropyran]-2,9,13-trione is C[C@@H]1CC=C[C@]2(O1)O[C@H]1CC(=O)O[C@H]1[C@]1(O)C(=O)c3ccccc3C(=O)[C@@]21O.
What is the InChIKey of (1R,2'R,10R,11R,15S,17S)-1,10-dihydroxy-2'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7-triene-17,6'-2,3-dihydropyran]-2,9,13-trione?
The InChIKey is JKAIEKBRNSNOJC-HEYNBSBWSA-N. The full InChI is InChI=1S/C20H18O8/c1-10-5-4-8-18(27-10)20(25)16(23)12-7-3-2-6-11(12)15(22)19(20,24)17-13(28-18)9-14(21)26-17/h2-4,6-8,10,13,17,24-25H,5,9H2,1H3/t10-,13+,17-,18+,19-,20-/m1/s1.
What are the key properties of (1R,2'R,10R,11R,15S,17S)-1,10-dihydroxy-2'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7-triene-17,6'-2,3-dihydropyran]-2,9,13-trione?
(1R,2'R,10R,11R,15S,17S)-1,10-dihydroxy-2'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7-triene-17,6'-2,3-dihydropyran]-2,9,13-trione has a molecular weight of 386.36 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2'R,10R,11R,15S,17S)-1,10-dihydroxy-2'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7-triene-17,6'-2,3-dihydropyran]-2,9,13-trione is sourced from PubChem (CID 162808142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).