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(11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin

Catalog Number ACM2097991858
CAS 2097991-85-8
Synonyms 4H-Diindeno[7,1-cd:1',7'-ef]phosphocin, 5-[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-, (11aS)-
IUPAC Name 10-(3,5-ditert-butyl-4-methoxyphenyl)-10-phosphapentacyclo[10.6.1.11,4.016,19.08,20]icosa-4(20),5,7,12,14,16(19)-hexaene
Molecular Weight 496.66
Molecular Formula C34H41OP
InChI VFIGZXLUGVMNDE-UHFFFAOYSA-N
InChI Key InChI=1S/C34H41OP/c1-32(2,3)27-18-26(19-28(31(27)35-7)33(4,5)6)36-20-24-12-8-10-22-14-16-34(29(22)24)17-15-23-11-9-13-25(21-36)30(23)34/h8-13,18-19H,14-17,20-21H2,1-7H3
Purity 97%
Isomeric SMILES CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P2CC3=CC=CC4=C3C5(CC4)CCC6=C5C(=CC=C6)C2
Q&A

What is the chemical structure of (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin?

The chemical structure of (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin is (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin.

What is the Canonical SMILES of (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin?

The Canonical SMILES of (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin is CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P2CC3=CC=CC4=C3C5(CC4)CCC6=C5C(=CC=C6)C2.

How many covalently-bonded units are there in (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin?

There is 1 covalently-bonded unit in (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin.

What is the topological polar surface area of (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin?

The topological polar surface area of (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin is 9.2.

What is the XLogP3 value of (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin?

The XLogP3 value of (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin is 8.7.

What is the exact mass of (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin?

The exact mass of (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin is 496.28950292.

What is the molecular formula of (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin?

The molecular formula of (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin is C34H41OP.

What is the molecular weight of (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin?

The molecular weight of (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin is 496.7g/mol.

What is the IUPAC Name of (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin?

The IUPAC Name of (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin is 10-(3,5-ditert-butyl-4-methoxyphenyl)-10-phosphapentacyclo[10.6.1.11,4.016,19.08,20]icosa-4(20),5,7,12,14,16(19)-hexaene.

What is the InChI of (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin?

The InChI of (11aS)-5-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl]-5,6,10,11,12,13-hexahydro-4H-Diindeno[7,1-cd:1',7'-ef]phosphocin is InChI=1S/C34H41OP/c1-32(2,3)27-18-26(19-28(31(27)35-7)33(4,5,6)6)36-20-24-12-8-10-22-14-16-34(29(22)24)17-15-23-11-9-13-25(21-36)30(23)34/h8-13,18-19H,14-17,20-21H2,1-7H3.

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