(6-acetyloxy-12-hydroxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaen-5-yl) acetate

C24H26O6 — CID 11647219

IUPAC(6-acetyloxy-12-hydroxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaen-5-yl) acetate
SMILESCC(=O)Oc1ccc2c(c1OC(C)=O)CCc1cc(O)c(C)c3c1C2CC(C)(C)O3
InChIInChI=1S/C24H26O6/c1-12-19(27)10-15-6-7-17-16(18-11-24(4,5)30-22(12)21(15)18)8-9-20(28-13(2)25)23(17)29-14(3)26/h8-10,18,27H,6-7,11H2,1-5H3
InChIKeyLHBJOJFIMFTZCP-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.34
Rot. Bonds2

About (6-acetyloxy-12-hydroxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaen-5-yl) acetate

(6-acetyloxy-12-hydroxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaen-5-yl) acetate (PubChem CID 11647219) has the molecular formula C24H26O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is (6-acetyloxy-12-hydroxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaen-5-yl) acetate.

Molecular Properties

Compound Name(6-acetyloxy-12-hydroxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaen-5-yl) acetate
PubChem CID11647219
Molecular FormulaC24H26O6
Molecular Weight410.47 g/mol
Exact Mass410.17
IUPAC Name(6-acetyloxy-12-hydroxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaen-5-yl) acetate
SMILESCC(=O)Oc1ccc2c(c1OC(C)=O)CCc1cc(O)c(C)c3c1C2CC(C)(C)O3
InChIInChI=1S/C24H26O6/c1-12-19(27)10-15-6-7-17-16(18-11-24(4,5)30-22(12)21(15)18)8-9-20(28-13(2)25)23(17)29-14(3)26/h8-10,18,27H,6-7,11H2,1-5H3
InChIKeyLHBJOJFIMFTZCP-UHFFFAOYSA-N
XLogP4.34
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6-acetyloxy-12-hydroxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaen-5-yl) acetate with MolForge

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Related Compounds

13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaene-5,6,12,17-tetrol
CID 162917935
(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate
CID 70637977
[4-(7-acetyloxy-5-hydroxy-6,8-dimethyl-4-oxo-2,3-dihydrochromen-2-yl)-2-methoxyphenyl] acetate
CID 162863077
(3-acetyloxy-2,4-dihydroxyphenyl) acetate
CID 23045362
(2-acetyloxy-3-fluorophenyl) acetate
CID 540078
[(4'R,6R)-8'-acetyloxy-4,4-dimethyl-4'-phenyl-2-sulfanylidenespiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl] acetate
CID 28838431
(2,3-diacetyloxy-4-methylphenyl) acetate;(3,4,5-triacetyloxy-2-methylphenyl) acetate
CID 88611295
(4,9-diacetyloxy-5,6,7,8-tetrahydrophenanthren-1-yl) acetate
CID 11810420
(5-acetyloxy-1-methylnaphthalen-2-yl) acetate
CID 68947092
(2-acetyloxy-2,3,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl) acetate
CID 54353318
(8-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene]-8'-yl) acetate
CID 11046658
(2,6-dihydroxyphenyl) acetate
CID 19910305

Frequently Asked Questions

What is the IUPAC name of (6-acetyloxy-12-hydroxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaen-5-yl) acetate?
The IUPAC name of (6-acetyloxy-12-hydroxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaen-5-yl) acetate (CID 11647219) is (6-acetyloxy-12-hydroxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaen-5-yl) acetate.
What is the SMILES notation for (6-acetyloxy-12-hydroxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaen-5-yl) acetate?
The canonical SMILES for (6-acetyloxy-12-hydroxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaen-5-yl) acetate is CC(=O)Oc1ccc2c(c1OC(C)=O)CCc1cc(O)c(C)c3c1C2CC(C)(C)O3.
What is the InChIKey of (6-acetyloxy-12-hydroxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaen-5-yl) acetate?
The InChIKey is LHBJOJFIMFTZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O6/c1-12-19(27)10-15-6-7-17-16(18-11-24(4,5)30-22(12)21(15)18)8-9-20(28-13(2)25)23(17)29-14(3)26/h8-10,18,27H,6-7,11H2,1-5H3.
What are the key properties of (6-acetyloxy-12-hydroxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaen-5-yl) acetate?
(6-acetyloxy-12-hydroxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaen-5-yl) acetate has a molecular weight of 410.47 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetyloxy-12-hydroxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaen-5-yl) acetate is sourced from PubChem (CID 11647219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).