33,34,35,36,37,38-hexamethoxy-4,9,15,20,25,31-hexamethyl-12,28-dioxaheptacyclo[27.3.1.12,6.17,11.113,17.118,22.123,27]octatriaconta-1(33),2(38),3,5,7(37),8,10,13,15,17(36),18,20,22(35),23(34),24,26,29,31-octadecaene

C48H48O8 — CID 4107714

IUPAC33,34,35,36,37,38-hexamethoxy-4,9,15,20,25,31-hexamethyl-12,28-dioxaheptacyclo[27.3.1.12,6.17,11.113,17.118,22.123,27]octatriaconta-1(33),2(38),3,5,7(37),8,10,13,15,17(36),18,20,22(35),23(34),24,26,29,31-octadecaene
SMILESCOc1c2cc(C)cc1c1cc(C)cc(c1OC)c1cc(C)cc(oc3cc(C)cc(c3OC)c3cc(C)cc(c3OC)c3cc(C)cc(o2)c3OC)c1OC
InChIInChI=1S/C48H48O8/c1-25-13-31-35-17-27(3)21-39(45(35)51-9)55-41-23-29(5)19-37(47(41)53-11)33-15-26(2)16-34(44(33)50-8)38-20-30(6)24-42(48(38)54-12)56-40-22-28(4)18-36(46(40)52-10)32(14-25)43(31)49-7/h13-24H,1-12H3
InChIKeyYGJCNHRPFUAJFM-UHFFFAOYSA-N
MW752.90 g/mol
LogP12.50
Rot. Bonds6

About 33,34,35,36,37,38-hexamethoxy-4,9,15,20,25,31-hexamethyl-12,28-dioxaheptacyclo[27.3.1.12,6.17,11.113,17.118,22.123,27]octatriaconta-1(33),2(38),3,5,7(37),8,10,13,15,17(36),18,20,22(35),23(34),24,26,29,31-octadecaene

33,34,35,36,37,38-hexamethoxy-4,9,15,20,25,31-hexamethyl-12,28-dioxaheptacyclo[27.3.1.12,6.17,11.113,17.118,22.123,27]octatriaconta-1(33),2(38),3,5,7(37),8,10,13,15,17(36),18,20,22(35),23(34),24,26,29,31-octadecaene (PubChem CID 4107714) has the molecular formula C48H48O8 and a molecular weight of 752.90 g/mol. Its IUPAC name is 33,34,35,36,37,38-hexamethoxy-4,9,15,20,25,31-hexamethyl-12,28-dioxaheptacyclo[27.3.1.12,6.17,11.113,17.118,22.123,27]octatriaconta-1(33),2(38),3,5,7(37),8,10,13,15,17(36),18,20,22(35),23(34),24,26,29,31-octadecaene.

Molecular Properties

Compound Name33,34,35,36,37,38-hexamethoxy-4,9,15,20,25,31-hexamethyl-12,28-dioxaheptacyclo[27.3.1.12,6.17,11.113,17.118,22.123,27]octatriaconta-1(33),2(38),3,5,7(37),8,10,13,15,17(36),18,20,22(35),23(34),24,26,29,31-octadecaene
PubChem CID4107714
Molecular FormulaC48H48O8
Molecular Weight752.90 g/mol
Exact Mass752.33
IUPAC Name33,34,35,36,37,38-hexamethoxy-4,9,15,20,25,31-hexamethyl-12,28-dioxaheptacyclo[27.3.1.12,6.17,11.113,17.118,22.123,27]octatriaconta-1(33),2(38),3,5,7(37),8,10,13,15,17(36),18,20,22(35),23(34),24,26,29,31-octadecaene
SMILESCOc1c2cc(C)cc1c1cc(C)cc(c1OC)c1cc(C)cc(oc3cc(C)cc(c3OC)c3cc(C)cc(c3OC)c3cc(C)cc(o2)c3OC)c1OC
InChIInChI=1S/C48H48O8/c1-25-13-31-35-17-27(3)21-39(45(35)51-9)55-41-23-29(5)19-37(47(41)53-11)33-15-26(2)16-34(44(33)50-8)38-20-30(6)24-42(48(38)54-12)56-40-22-28(4)18-36(46(40)52-10)32(14-25)43(31)49-7/h13-24H,1-12H3
InChIKeyYGJCNHRPFUAJFM-UHFFFAOYSA-N
XLogP12.50
TPSA81.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.90
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 33,34,35,36,37,38-hexamethoxy-4,9,15,20,25,31-hexamethyl-12,28-dioxaheptacyclo[27.3.1.12,6.17,11.113,17.118,22.123,27]octatriaconta-1(33),2(38),3,5,7(37),8,10,13,15,17(36),18,20,22(35),23(34),24,26,29,31-octadecaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 33,34,35,36,37,38-hexamethoxy-4,9,15,20,25,31-hexamethyl-12,28-dioxaheptacyclo[27.3.1.12,6.17,11.113,17.118,22.123,27]octatriaconta-1(33),2(38),3,5,7(37),8,10,13,15,17(36),18,20,22(35),23(34),24,26,29,31-octadecaene?
The IUPAC name of 33,34,35,36,37,38-hexamethoxy-4,9,15,20,25,31-hexamethyl-12,28-dioxaheptacyclo[27.3.1.12,6.17,11.113,17.118,22.123,27]octatriaconta-1(33),2(38),3,5,7(37),8,10,13,15,17(36),18,20,22(35),23(34),24,26,29,31-octadecaene (CID 4107714) is 33,34,35,36,37,38-hexamethoxy-4,9,15,20,25,31-hexamethyl-12,28-dioxaheptacyclo[27.3.1.12,6.17,11.113,17.118,22.123,27]octatriaconta-1(33),2(38),3,5,7(37),8,10,13,15,17(36),18,20,22(35),23(34),24,26,29,31-octadecaene.
What is the SMILES notation for 33,34,35,36,37,38-hexamethoxy-4,9,15,20,25,31-hexamethyl-12,28-dioxaheptacyclo[27.3.1.12,6.17,11.113,17.118,22.123,27]octatriaconta-1(33),2(38),3,5,7(37),8,10,13,15,17(36),18,20,22(35),23(34),24,26,29,31-octadecaene?
The canonical SMILES for 33,34,35,36,37,38-hexamethoxy-4,9,15,20,25,31-hexamethyl-12,28-dioxaheptacyclo[27.3.1.12,6.17,11.113,17.118,22.123,27]octatriaconta-1(33),2(38),3,5,7(37),8,10,13,15,17(36),18,20,22(35),23(34),24,26,29,31-octadecaene is COc1c2cc(C)cc1c1cc(C)cc(c1OC)c1cc(C)cc(oc3cc(C)cc(c3OC)c3cc(C)cc(c3OC)c3cc(C)cc(o2)c3OC)c1OC.
What is the InChIKey of 33,34,35,36,37,38-hexamethoxy-4,9,15,20,25,31-hexamethyl-12,28-dioxaheptacyclo[27.3.1.12,6.17,11.113,17.118,22.123,27]octatriaconta-1(33),2(38),3,5,7(37),8,10,13,15,17(36),18,20,22(35),23(34),24,26,29,31-octadecaene?
The InChIKey is YGJCNHRPFUAJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48O8/c1-25-13-31-35-17-27(3)21-39(45(35)51-9)55-41-23-29(5)19-37(47(41)53-11)33-15-26(2)16-34(44(33)50-8)38-20-30(6)24-42(48(38)54-12)56-40-22-28(4)18-36(46(40)52-10)32(14-25)43(31)49-7/h13-24H,1-12H3.
What are the key properties of 33,34,35,36,37,38-hexamethoxy-4,9,15,20,25,31-hexamethyl-12,28-dioxaheptacyclo[27.3.1.12,6.17,11.113,17.118,22.123,27]octatriaconta-1(33),2(38),3,5,7(37),8,10,13,15,17(36),18,20,22(35),23(34),24,26,29,31-octadecaene?
33,34,35,36,37,38-hexamethoxy-4,9,15,20,25,31-hexamethyl-12,28-dioxaheptacyclo[27.3.1.12,6.17,11.113,17.118,22.123,27]octatriaconta-1(33),2(38),3,5,7(37),8,10,13,15,17(36),18,20,22(35),23(34),24,26,29,31-octadecaene has a molecular weight of 752.90 g/mol, XLogP of 12.50, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 33,34,35,36,37,38-hexamethoxy-4,9,15,20,25,31-hexamethyl-12,28-dioxaheptacyclo[27.3.1.12,6.17,11.113,17.118,22.123,27]octatriaconta-1(33),2(38),3,5,7(37),8,10,13,15,17(36),18,20,22(35),23(34),24,26,29,31-octadecaene is sourced from PubChem (CID 4107714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).