(4R,6R,10R,17R,18R,25R)-4,6-dimethyl-3,7-dioxaoctacyclo[15.9.1.01,18.09,26.09,27.010,25.011,16.019,24]heptacosa-11,13,15,19,21,23-hexaene-2,8-dione

C27H24O4 — CID 57338061

IUPAC(4R,6R,10R,17R,18R,25R)-4,6-dimethyl-3,7-dioxaoctacyclo[15.9.1.01,18.09,26.09,27.010,25.011,16.019,24]heptacosa-11,13,15,19,21,23-hexaene-2,8-dione
SMILESC[C@@H]1C[C@@H](C)OC(=O)C23C4[C@@H]5c6ccccc6[C@H]2[C@H]2c6ccccc6[C@@H]5C4(C(=O)O1)C23
InChIInChI=1S/C27H24O4/c1-12-11-13(2)31-25(29)27-21-17-10-6-4-8-15(17)18-20-16-9-5-3-7-14(16)19(21)23(27)26(20,22(18)27)24(28)30-12/h3-10,12-13,18-23H,11H2,1-2H3/t12-,13-,18-,19-,20+,21+,22?,23?,26?,27?/m1/s1
InChIKeyFGARFOASOSJDFQ-UDCMKGNOSA-N
MW412.49 g/mol
LogP4.26
Rot. Bonds

About (4R,6R,10R,17R,18R,25R)-4,6-dimethyl-3,7-dioxaoctacyclo[15.9.1.01,18.09,26.09,27.010,25.011,16.019,24]heptacosa-11,13,15,19,21,23-hexaene-2,8-dione

(4R,6R,10R,17R,18R,25R)-4,6-dimethyl-3,7-dioxaoctacyclo[15.9.1.01,18.09,26.09,27.010,25.011,16.019,24]heptacosa-11,13,15,19,21,23-hexaene-2,8-dione (PubChem CID 57338061) has the molecular formula C27H24O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is (4R,6R,10R,17R,18R,25R)-4,6-dimethyl-3,7-dioxaoctacyclo[15.9.1.01,18.09,26.09,27.010,25.011,16.019,24]heptacosa-11,13,15,19,21,23-hexaene-2,8-dione.

Molecular Properties

Compound Name(4R,6R,10R,17R,18R,25R)-4,6-dimethyl-3,7-dioxaoctacyclo[15.9.1.01,18.09,26.09,27.010,25.011,16.019,24]heptacosa-11,13,15,19,21,23-hexaene-2,8-dione
PubChem CID57338061
Molecular FormulaC27H24O4
Molecular Weight412.49 g/mol
Exact Mass412.17
IUPAC Name(4R,6R,10R,17R,18R,25R)-4,6-dimethyl-3,7-dioxaoctacyclo[15.9.1.01,18.09,26.09,27.010,25.011,16.019,24]heptacosa-11,13,15,19,21,23-hexaene-2,8-dione
SMILESC[C@@H]1C[C@@H](C)OC(=O)C23C4[C@@H]5c6ccccc6[C@H]2[C@H]2c6ccccc6[C@@H]5C4(C(=O)O1)C23
InChIInChI=1S/C27H24O4/c1-12-11-13(2)31-25(29)27-21-17-10-6-4-8-15(17)18-20-16-9-5-3-7-14(16)19(21)23(27)26(20,22(18)27)24(28)30-12/h3-10,12-13,18-23H,11H2,1-2H3/t12-,13-,18-,19-,20+,21+,22?,23?,26?,27?/m1/s1
InChIKeyFGARFOASOSJDFQ-UDCMKGNOSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R,6R,10R,17R,18R,25R)-4,6-dimethyl-3,7-dioxaoctacyclo[15.9.1.01,18.09,26.09,27.010,25.011,16.019,24]heptacosa-11,13,15,19,21,23-hexaene-2,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,6R,10R,17R,18R,25R)-4,6-dimethyl-3,7-dioxaoctacyclo[15.9.1.01,18.09,26.09,27.010,25.011,16.019,24]heptacosa-11,13,15,19,21,23-hexaene-2,8-dione?
The IUPAC name of (4R,6R,10R,17R,18R,25R)-4,6-dimethyl-3,7-dioxaoctacyclo[15.9.1.01,18.09,26.09,27.010,25.011,16.019,24]heptacosa-11,13,15,19,21,23-hexaene-2,8-dione (CID 57338061) is (4R,6R,10R,17R,18R,25R)-4,6-dimethyl-3,7-dioxaoctacyclo[15.9.1.01,18.09,26.09,27.010,25.011,16.019,24]heptacosa-11,13,15,19,21,23-hexaene-2,8-dione.
What is the SMILES notation for (4R,6R,10R,17R,18R,25R)-4,6-dimethyl-3,7-dioxaoctacyclo[15.9.1.01,18.09,26.09,27.010,25.011,16.019,24]heptacosa-11,13,15,19,21,23-hexaene-2,8-dione?
The canonical SMILES for (4R,6R,10R,17R,18R,25R)-4,6-dimethyl-3,7-dioxaoctacyclo[15.9.1.01,18.09,26.09,27.010,25.011,16.019,24]heptacosa-11,13,15,19,21,23-hexaene-2,8-dione is C[C@@H]1C[C@@H](C)OC(=O)C23C4[C@@H]5c6ccccc6[C@H]2[C@H]2c6ccccc6[C@@H]5C4(C(=O)O1)C23.
What is the InChIKey of (4R,6R,10R,17R,18R,25R)-4,6-dimethyl-3,7-dioxaoctacyclo[15.9.1.01,18.09,26.09,27.010,25.011,16.019,24]heptacosa-11,13,15,19,21,23-hexaene-2,8-dione?
The InChIKey is FGARFOASOSJDFQ-UDCMKGNOSA-N. The full InChI is InChI=1S/C27H24O4/c1-12-11-13(2)31-25(29)27-21-17-10-6-4-8-15(17)18-20-16-9-5-3-7-14(16)19(21)23(27)26(20,22(18)27)24(28)30-12/h3-10,12-13,18-23H,11H2,1-2H3/t12-,13-,18-,19-,20+,21+,22?,23?,26?,27?/m1/s1.
What are the key properties of (4R,6R,10R,17R,18R,25R)-4,6-dimethyl-3,7-dioxaoctacyclo[15.9.1.01,18.09,26.09,27.010,25.011,16.019,24]heptacosa-11,13,15,19,21,23-hexaene-2,8-dione?
(4R,6R,10R,17R,18R,25R)-4,6-dimethyl-3,7-dioxaoctacyclo[15.9.1.01,18.09,26.09,27.010,25.011,16.019,24]heptacosa-11,13,15,19,21,23-hexaene-2,8-dione has a molecular weight of 412.49 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,10R,17R,18R,25R)-4,6-dimethyl-3,7-dioxaoctacyclo[15.9.1.01,18.09,26.09,27.010,25.011,16.019,24]heptacosa-11,13,15,19,21,23-hexaene-2,8-dione is sourced from PubChem (CID 57338061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).