(8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol

C24H32O6 — CID 101186634

IUPAC(8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol
SMILESCCCc1cc(OC)c2c(c1O)[C@@H](OCC)CCc1cc(OC)c(OC)c(OC)c1-2
InChIInChI=1S/C24H32O6/c1-7-9-15-13-17(26-3)20-19-14(10-11-16(30-8-2)21(20)22(15)25)12-18(27-4)23(28-5)24(19)29-6/h12-13,16,25H,7-11H2,1-6H3/t16-/m0/s1
InChIKeyKQVGMPOWUVAZBO-INIZCTEOSA-N
MW416.51 g/mol
LogP5.07
Rot. Bonds8

About (8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol

(8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol (PubChem CID 101186634) has the molecular formula C24H32O6 and a molecular weight of 416.51 g/mol. Its IUPAC name is (8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol.

Molecular Properties

Compound Name(8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol
PubChem CID101186634
Molecular FormulaC24H32O6
Molecular Weight416.51 g/mol
Exact Mass416.22
IUPAC Name(8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol
SMILESCCCc1cc(OC)c2c(c1O)[C@@H](OCC)CCc1cc(OC)c(OC)c(OC)c1-2
InChIInChI=1S/C24H32O6/c1-7-9-15-13-17(26-3)20-19-14(10-11-16(30-8-2)21(20)22(15)25)12-18(27-4)23(28-5)24(19)29-6/h12-13,16,25H,7-11H2,1-6H3/t16-/m0/s1
InChIKeyKQVGMPOWUVAZBO-INIZCTEOSA-N
XLogP5.07
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol with MolForge

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Related Compounds

(8S)-6-ethoxy-8,13,14,15-tetramethoxy-4-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-3-ol
CID 101186647
(3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate
CID 11327880
tri(propan-2-yl)-[(8,13,14,15-tetramethoxy-3-propan-2-yloxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)oxy]silane
CID 11444665
2-hydroxy-5,6-dimethoxy-3-propylbenzamide
CID 18625107
(10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one
CID 70683790
7-hydroxy-2,3,4-trimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 71271654
(8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol
CID 24754568
N-(6-hydroxy-5,13,14,15-tetramethoxy-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)acetamide
CID 11188363
3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol
CID 14049974
10-ethoxy-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
CID 4587108
1,3-dimethoxy-4-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene
CID 169220725
4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
CID 117444876

Frequently Asked Questions

What is the IUPAC name of (8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol?
The IUPAC name of (8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol (CID 101186634) is (8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol.
What is the SMILES notation for (8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol?
The canonical SMILES for (8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol is CCCc1cc(OC)c2c(c1O)[C@@H](OCC)CCc1cc(OC)c(OC)c(OC)c1-2.
What is the InChIKey of (8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol?
The InChIKey is KQVGMPOWUVAZBO-INIZCTEOSA-N. The full InChI is InChI=1S/C24H32O6/c1-7-9-15-13-17(26-3)20-19-14(10-11-16(30-8-2)21(20)22(15)25)12-18(27-4)23(28-5)24(19)29-6/h12-13,16,25H,7-11H2,1-6H3/t16-/m0/s1.
What are the key properties of (8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol?
(8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol has a molecular weight of 416.51 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-ethoxy-3,13,14,15-tetramethoxy-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-6-ol is sourced from PubChem (CID 101186634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).