P-TERT-BUTYLCALIX-6-ARENE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C66H84O6
Molecular Weight	973.3696
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C)C1=CC2=C(O)C(CC3=CC(=CC(CC4=CC(=CC(CC5=CC(=CC(CC6=C(O)C(CC7=C(O)C(C2)=CC(=C7)C(C)(C)C)=CC(=C6)C(C)(C)C)=C5O)C(C)(C)C)=C4O)C(C)(C)C)=C3O)C(C)(C)C)=C1

InChI

InChIKey=UOEYZAXKBKAKRO-UHFFFAOYSA-N

InChI=1S/C66H84O6/c1-61(2,3)49-25-37-19-39-27-50(62(4,5)6)29-41(56(39)68)21-43-31-52(64(10,11)12)33-45(58(43)70)23-47-35-54(66(16,17)18)36-48(60(47)72)24-46-34-53(65(13,14)15)32-44(59(46)71)22-42-30-51(63(7,8)9)28-40(57(42)69)20-38(26-49)55(37)67/h25-36,67-72H,19-24H2,1-18H3

HIDE SMILES / InChI

Molecular Formula	C66H84O6
Molecular Weight	973.3696
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:29:23 GMT 2025` Edited by `admin` on `Wed Apr 02 11:29:23 GMT 2025`
Record UNII	B9OG173DMY
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CALX-B 6

Preferred Name

English

P-TERT-BUTYLCALIX-6-ARENE

Common Name

English

4-TERT-BUTYLCALIX(6)ARENE

Common Name

English

NSC-344029

Code

English

5,11,17,23,29,35-HEXAKIS(1,1-DIMETHYLETHYL)HEPTACYCLO(31.3.1.13,7.19,13.115,19.121,25.127,31)DOTETRACONTA-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-OCTADECAENE-37,38,39,40,41,42-HEXOL

Systematic Name

English

HEPTACYCLO(31.3.1.13,7.19,13.115,19.121,25.127,31)DOTETRACONTA-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-OCTADECAENE-37,38,39,40,41,42-HEXOL, 5,11,17,23,29,35-HEXAKIS(1,1-DIMETHYLETHYL)-

Systematic Name

English

Code System Code Type Description

NSC

344029