14,19,24,26,28,30,33,34-octamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13(31),14,16(30),18,20,23,26,28,32,34-pentadecaene-4,10-diol

C43H46O10 — CID 177419561

IUPAC14,19,24,26,28,30,33,34-octamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13(31),14,16(30),18,20,23,26,28,32,34-pentadecaene-4,10-diol
SMILESCOc1cc2c(OC)cc1Cc1cc(OC)c(cc1O)Cc1cc(O)c(cc1OC)Cc1cc(OC)c(cc1OC)Cc1cc(OC)c(cc1OC)C2
InChIInChI=1S/C43H46O10/c1-46-36-16-24-9-28-18-40(50-5)30(20-38(28)48-3)12-32-22-43(53-8)33(23-42(32)52-7)13-31-21-39(49-4)29(19-41(31)51-6)10-25-17-37(47-2)27(15-35(25)45)11-26(36)14-34(24)44/h14-23,44-45H,9-13H2,1-8H3
InChIKeyJBYLTVMCXAXINO-UHFFFAOYSA-N
MW722.83 g/mol
LogP7.43
Rot. Bonds8

About 14,19,24,26,28,30,33,34-octamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13(31),14,16(30),18,20,23,26,28,32,34-pentadecaene-4,10-diol

14,19,24,26,28,30,33,34-octamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13(31),14,16(30),18,20,23,26,28,32,34-pentadecaene-4,10-diol (PubChem CID 177419561) has the molecular formula C43H46O10 and a molecular weight of 722.83 g/mol. Its IUPAC name is 14,19,24,26,28,30,33,34-octamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13(31),14,16(30),18,20,23,26,28,32,34-pentadecaene-4,10-diol.

Molecular Properties

Compound Name14,19,24,26,28,30,33,34-octamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13(31),14,16(30),18,20,23,26,28,32,34-pentadecaene-4,10-diol
PubChem CID177419561
Molecular FormulaC43H46O10
Molecular Weight722.83 g/mol
Exact Mass722.31
IUPAC Name14,19,24,26,28,30,33,34-octamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13(31),14,16(30),18,20,23,26,28,32,34-pentadecaene-4,10-diol
SMILESCOc1cc2c(OC)cc1Cc1cc(OC)c(cc1O)Cc1cc(O)c(cc1OC)Cc1cc(OC)c(cc1OC)Cc1cc(OC)c(cc1OC)C2
InChIInChI=1S/C43H46O10/c1-46-36-16-24-9-28-18-40(50-5)30(20-38(28)48-3)12-32-22-43(53-8)33(23-42(32)52-7)13-31-21-39(49-4)29(19-41(31)51-6)10-25-17-37(47-2)27(15-35(25)45)11-26(36)14-34(24)44/h14-23,44-45H,9-13H2,1-8H3
InChIKeyJBYLTVMCXAXINO-UHFFFAOYSA-N
XLogP7.43
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.83
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 14,19,24,26,28,30,33,34-octamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13(31),14,16(30),18,20,23,26,28,32,34-pentadecaene-4,10-diol with MolForge

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Related Compounds

9,14,19,24,26,28,30,32,34-nonamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8(33),9,11(32),13(31),14,16(30),18,20,23,26,28,34-pentadecaen-4-ol;octan-1-amine;hydrate
CID 139088614
9,19,24,26,28,32-hexaethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8(33),9,11(32),13(31),14,16(30),18(29),19,21(28),23,26,34-pentadecaene-4,14,30,34-tetrol
CID 71538266
9,16,30,37-tetramethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene-2,23-diol
CID 102021987
4-[(9,14,19,24,26,28,30,32,34-nonamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl)oxy]butan-1-ol
CID 71619932
4,9,19,28,32,34-hexakis(2-bromoethoxy)-14,24,26,30-tetramethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18,20,23(27),24,28,30,32-pentadecaene
CID 139205654
4,9,14,19,24-pentamethoxy-26,28,30,32,34-pentakis(prop-2-ynoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene
CID 177401720
5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 628542
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960
acetonitrile;4,9,11,15,20,22,26,28,30,31,33,34-dodecamethoxyhexacyclo[23.2.2.23,6.214,17.18,12.119,23]pentatriaconta-1(27),3(35),4,6(34),8(33),9,11,14(32),15,17(31),19,21,23(30),25,28-pentadecaene
CID 139094171
1,2,3,6,7,8-hexamethoxy-9,10-dihydroanthracene
CID 126606780
6,7-dihydroxy-4-methyl-1H-naphthalen-2-one;6,7-dimethoxy-4-methyl-1H-naphthalen-2-one;oxygen(2-)
CID 161315321
5-methoxybenzene-1,2,4-triol
CID 20551665

Frequently Asked Questions

What is the IUPAC name of 14,19,24,26,28,30,33,34-octamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13(31),14,16(30),18,20,23,26,28,32,34-pentadecaene-4,10-diol?
The IUPAC name of 14,19,24,26,28,30,33,34-octamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13(31),14,16(30),18,20,23,26,28,32,34-pentadecaene-4,10-diol (CID 177419561) is 14,19,24,26,28,30,33,34-octamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13(31),14,16(30),18,20,23,26,28,32,34-pentadecaene-4,10-diol.
What is the SMILES notation for 14,19,24,26,28,30,33,34-octamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13(31),14,16(30),18,20,23,26,28,32,34-pentadecaene-4,10-diol?
The canonical SMILES for 14,19,24,26,28,30,33,34-octamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13(31),14,16(30),18,20,23,26,28,32,34-pentadecaene-4,10-diol is COc1cc2c(OC)cc1Cc1cc(OC)c(cc1O)Cc1cc(O)c(cc1OC)Cc1cc(OC)c(cc1OC)Cc1cc(OC)c(cc1OC)C2.
What is the InChIKey of 14,19,24,26,28,30,33,34-octamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13(31),14,16(30),18,20,23,26,28,32,34-pentadecaene-4,10-diol?
The InChIKey is JBYLTVMCXAXINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46O10/c1-46-36-16-24-9-28-18-40(50-5)30(20-38(28)48-3)12-32-22-43(53-8)33(23-42(32)52-7)13-31-21-39(49-4)29(19-41(31)51-6)10-25-17-37(47-2)27(15-35(25)45)11-26(36)14-34(24)44/h14-23,44-45H,9-13H2,1-8H3.
What are the key properties of 14,19,24,26,28,30,33,34-octamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13(31),14,16(30),18,20,23,26,28,32,34-pentadecaene-4,10-diol?
14,19,24,26,28,30,33,34-octamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13(31),14,16(30),18,20,23,26,28,32,34-pentadecaene-4,10-diol has a molecular weight of 722.83 g/mol, XLogP of 7.43, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 14,19,24,26,28,30,33,34-octamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13(31),14,16(30),18,20,23,26,28,32,34-pentadecaene-4,10-diol is sourced from PubChem (CID 177419561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).