15-methylpentacyclo[22.3.1.13,7.110,14.117,21]hentriaconta-1(27),3,5,7(31),10(30),11,13,17,19,21(29),24(28),25-dodecaene-28,29,30,31-tetrol

C32H32O4 — CID 145027622

IUPAC15-methylpentacyclo[22.3.1.13,7.110,14.117,21]hentriaconta-1(27),3,5,7(31),10(30),11,13,17,19,21(29),24(28),25-dodecaene-28,29,30,31-tetrol
SMILESCC1Cc2cccc(c2O)CCc2cccc(c2O)Cc2cccc(c2O)CCc2cccc1c2O
InChIInChI=1S/C32H32O4/c1-20-18-25-10-2-6-21(29(25)33)14-15-22-7-3-11-26(30(22)34)19-27-12-4-8-23(31(27)35)16-17-24-9-5-13-28(20)32(24)36/h2-13,20,33-36H,14-19H2,1H3
InChIKeyKGXCCTXLBWOFQQ-UHFFFAOYSA-N
MW480.60 g/mol
LogP6.33
Rot. Bonds

About 15-methylpentacyclo[22.3.1.13,7.110,14.117,21]hentriaconta-1(27),3,5,7(31),10(30),11,13,17,19,21(29),24(28),25-dodecaene-28,29,30,31-tetrol

15-methylpentacyclo[22.3.1.13,7.110,14.117,21]hentriaconta-1(27),3,5,7(31),10(30),11,13,17,19,21(29),24(28),25-dodecaene-28,29,30,31-tetrol (PubChem CID 145027622) has the molecular formula C32H32O4 and a molecular weight of 480.60 g/mol. Its IUPAC name is 15-methylpentacyclo[22.3.1.13,7.110,14.117,21]hentriaconta-1(27),3,5,7(31),10(30),11,13,17,19,21(29),24(28),25-dodecaene-28,29,30,31-tetrol.

Molecular Properties

Compound Name15-methylpentacyclo[22.3.1.13,7.110,14.117,21]hentriaconta-1(27),3,5,7(31),10(30),11,13,17,19,21(29),24(28),25-dodecaene-28,29,30,31-tetrol
PubChem CID145027622
Molecular FormulaC32H32O4
Molecular Weight480.60 g/mol
Exact Mass480.23
IUPAC Name15-methylpentacyclo[22.3.1.13,7.110,14.117,21]hentriaconta-1(27),3,5,7(31),10(30),11,13,17,19,21(29),24(28),25-dodecaene-28,29,30,31-tetrol
SMILESCC1Cc2cccc(c2O)CCc2cccc(c2O)Cc2cccc(c2O)CCc2cccc1c2O
InChIInChI=1S/C32H32O4/c1-20-18-25-10-2-6-21(29(25)33)14-15-22-7-3-11-26(30(22)34)19-27-12-4-8-23(31(27)35)16-17-24-9-5-13-28(20)32(24)36/h2-13,20,33-36H,14-19H2,1H3
InChIKeyKGXCCTXLBWOFQQ-UHFFFAOYSA-N
XLogP6.33
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.60
LogP ≤ 56.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 15-methylpentacyclo[22.3.1.13,7.110,14.117,21]hentriaconta-1(27),3,5,7(31),10(30),11,13,17,19,21(29),24(28),25-dodecaene-28,29,30,31-tetrol 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

pentacyclo[21.3.1.13,7.110,14.116,20]triaconta-1(26),3,5,7(30),10(29),11,13,16,18,20(28),23(27),24-dodecaene-27,28,29,30-tetrol
CID 102437772
hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol
CID 139180144
4,9-dimethyl-4,5,9,10-tetrahydropyrene
CID 162152036
8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene
CID 54053065
pentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21,23,25(34),29,31-dodecaene-33,34,35,36-tetrol
CID 14976551
5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 59881663
6-methyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene
CID 20707574
cesium 38,39,40,41,42-pentahydroxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaen-37-olate
CID 101247500
5-tert-butylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 10767079
7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene
CID 102268560
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
4,10-dimethyl-9,10-dihydrophenanthrene
CID 144612931

Frequently Asked Questions

What is the IUPAC name of 15-methylpentacyclo[22.3.1.13,7.110,14.117,21]hentriaconta-1(27),3,5,7(31),10(30),11,13,17,19,21(29),24(28),25-dodecaene-28,29,30,31-tetrol?
The IUPAC name of 15-methylpentacyclo[22.3.1.13,7.110,14.117,21]hentriaconta-1(27),3,5,7(31),10(30),11,13,17,19,21(29),24(28),25-dodecaene-28,29,30,31-tetrol (CID 145027622) is 15-methylpentacyclo[22.3.1.13,7.110,14.117,21]hentriaconta-1(27),3,5,7(31),10(30),11,13,17,19,21(29),24(28),25-dodecaene-28,29,30,31-tetrol.
What is the SMILES notation for 15-methylpentacyclo[22.3.1.13,7.110,14.117,21]hentriaconta-1(27),3,5,7(31),10(30),11,13,17,19,21(29),24(28),25-dodecaene-28,29,30,31-tetrol?
The canonical SMILES for 15-methylpentacyclo[22.3.1.13,7.110,14.117,21]hentriaconta-1(27),3,5,7(31),10(30),11,13,17,19,21(29),24(28),25-dodecaene-28,29,30,31-tetrol is CC1Cc2cccc(c2O)CCc2cccc(c2O)Cc2cccc(c2O)CCc2cccc1c2O.
What is the InChIKey of 15-methylpentacyclo[22.3.1.13,7.110,14.117,21]hentriaconta-1(27),3,5,7(31),10(30),11,13,17,19,21(29),24(28),25-dodecaene-28,29,30,31-tetrol?
The InChIKey is KGXCCTXLBWOFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O4/c1-20-18-25-10-2-6-21(29(25)33)14-15-22-7-3-11-26(30(22)34)19-27-12-4-8-23(31(27)35)16-17-24-9-5-13-28(20)32(24)36/h2-13,20,33-36H,14-19H2,1H3.
What are the key properties of 15-methylpentacyclo[22.3.1.13,7.110,14.117,21]hentriaconta-1(27),3,5,7(31),10(30),11,13,17,19,21(29),24(28),25-dodecaene-28,29,30,31-tetrol?
15-methylpentacyclo[22.3.1.13,7.110,14.117,21]hentriaconta-1(27),3,5,7(31),10(30),11,13,17,19,21(29),24(28),25-dodecaene-28,29,30,31-tetrol has a molecular weight of 480.60 g/mol, XLogP of 6.33, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methylpentacyclo[22.3.1.13,7.110,14.117,21]hentriaconta-1(27),3,5,7(31),10(30),11,13,17,19,21(29),24(28),25-dodecaene-28,29,30,31-tetrol is sourced from PubChem (CID 145027622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).