(6S,6aR,7S,12aR)-1,3,4,8,10,11-hexamethoxy-6-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene

C38H40O10 — CID 56676458

IUPAC(6S,6aR,7S,12aR)-1,3,4,8,10,11-hexamethoxy-6-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene
SMILESCOc1ccc(/C=C/[C@@H]2c3c(OC)cc(OC)c(OC)c3O[C@H]3c4c(OC)cc(OC)c(OC)c4O[C@H](c4ccc(OC)cc4)[C@@H]23)cc1
InChIInChI=1S/C38H40O10/c1-39-23-14-9-21(10-15-23)11-18-25-30-26(41-3)19-28(43-5)34(45-7)37(30)48-36-31(25)33(22-12-16-24(40-2)17-13-22)47-38-32(36)27(42-4)20-29(44-6)35(38)46-8/h9-20,25,31,33,36H,1-8H3/b18-11+/t25-,31-,33-,36-/m1/s1
InChIKeyOTAQGGKMQBOIDH-YRWURIBBSA-N
MW656.73 g/mol
LogP7.44
Rot. Bonds11

About (6S,6aR,7S,12aR)-1,3,4,8,10,11-hexamethoxy-6-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene

(6S,6aR,7S,12aR)-1,3,4,8,10,11-hexamethoxy-6-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene (PubChem CID 56676458) has the molecular formula C38H40O10 and a molecular weight of 656.73 g/mol. Its IUPAC name is (6S,6aR,7S,12aR)-1,3,4,8,10,11-hexamethoxy-6-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene.

Molecular Properties

Compound Name(6S,6aR,7S,12aR)-1,3,4,8,10,11-hexamethoxy-6-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene
PubChem CID56676458
Molecular FormulaC38H40O10
Molecular Weight656.73 g/mol
Exact Mass656.26
IUPAC Name(6S,6aR,7S,12aR)-1,3,4,8,10,11-hexamethoxy-6-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene
SMILESCOc1ccc(/C=C/[C@@H]2c3c(OC)cc(OC)c(OC)c3O[C@H]3c4c(OC)cc(OC)c(OC)c4O[C@H](c4ccc(OC)cc4)[C@@H]23)cc1
InChIInChI=1S/C38H40O10/c1-39-23-14-9-21(10-15-23)11-18-25-30-26(41-3)19-28(43-5)34(45-7)37(30)48-36-31(25)33(22-12-16-24(40-2)17-13-22)47-38-32(36)27(42-4)20-29(44-6)35(38)46-8/h9-20,25,31,33,36H,1-8H3/b18-11+/t25-,31-,33-,36-/m1/s1
InChIKeyOTAQGGKMQBOIDH-YRWURIBBSA-N
XLogP7.44
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.73
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (6S,6aR,7S,12aR)-1,3,4,8,10,11-hexamethoxy-6-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S,6aR,7S,12aR)-1,3,4,8,10,11-hexamethoxy-6-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene?
The IUPAC name of (6S,6aR,7S,12aR)-1,3,4,8,10,11-hexamethoxy-6-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene (CID 56676458) is (6S,6aR,7S,12aR)-1,3,4,8,10,11-hexamethoxy-6-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene.
What is the SMILES notation for (6S,6aR,7S,12aR)-1,3,4,8,10,11-hexamethoxy-6-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene?
The canonical SMILES for (6S,6aR,7S,12aR)-1,3,4,8,10,11-hexamethoxy-6-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene is COc1ccc(/C=C/[C@@H]2c3c(OC)cc(OC)c(OC)c3O[C@H]3c4c(OC)cc(OC)c(OC)c4O[C@H](c4ccc(OC)cc4)[C@@H]23)cc1.
What is the InChIKey of (6S,6aR,7S,12aR)-1,3,4,8,10,11-hexamethoxy-6-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene?
The InChIKey is OTAQGGKMQBOIDH-YRWURIBBSA-N. The full InChI is InChI=1S/C38H40O10/c1-39-23-14-9-21(10-15-23)11-18-25-30-26(41-3)19-28(43-5)34(45-7)37(30)48-36-31(25)33(22-12-16-24(40-2)17-13-22)47-38-32(36)27(42-4)20-29(44-6)35(38)46-8/h9-20,25,31,33,36H,1-8H3/b18-11+/t25-,31-,33-,36-/m1/s1.
What are the key properties of (6S,6aR,7S,12aR)-1,3,4,8,10,11-hexamethoxy-6-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene?
(6S,6aR,7S,12aR)-1,3,4,8,10,11-hexamethoxy-6-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene has a molecular weight of 656.73 g/mol, XLogP of 7.44, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,6aR,7S,12aR)-1,3,4,8,10,11-hexamethoxy-6-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6a,7,12a-tetrahydrochromeno[3,2-c]chromene is sourced from PubChem (CID 56676458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).