U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C60H72O6
Molecular Weight 889.2101
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-ISOPROPYLCALIX-6-ARENE

SMILES

CC(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)=CC(=C6)C(C)C)=C5O)C(C)C)=C4O)C(C)C)=C3O)C(C)C)=C1

InChI

InChIKey=HUYWXTRCNXGJSG-UHFFFAOYSA-N
InChI=1S/C60H72O6/c1-31(2)37-13-43-25-45-15-38(32(3)4)17-47(56(45)62)27-49-19-40(34(7)8)21-51(58(49)64)29-53-23-42(36(11)12)24-54(60(53)66)30-52-22-41(35(9)10)20-50(59(52)65)28-48-18-39(33(5)6)16-46(57(48)63)26-44(14-37)55(43)61/h13-24,31-36,61-66H,25-30H2,1-12H3

HIDE SMILES / InChI

Molecular Formula C60H72O6
Molecular Weight 889.2101
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 Sat Dec 16 12:38:08 GMT 2023
Edited
by admin
on Sat Dec 16 12:38:08 GMT 2023
Record UNII
SBN41G8CTO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
P-ISOPROPYLCALIX-6-ARENE
Common 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-METHYLETHYL)-
Systematic Name English
NSC-634597
Code English
5,11,17,23,29,35-HEXAKIS(1-METHYLETHYL)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-
Systematic Name English
Code System Code Type Description
PUBCHEM
366250
Created by admin on Sat Dec 16 12:38:08 GMT 2023 , Edited by admin on Sat Dec 16 12:38:08 GMT 2023
PRIMARY
NSC
634597
Created by admin on Sat Dec 16 12:38:08 GMT 2023 , Edited by admin on Sat Dec 16 12:38:08 GMT 2023
PRIMARY
FDA UNII
SBN41G8CTO
Created by admin on Sat Dec 16 12:38:08 GMT 2023 , Edited by admin on Sat Dec 16 12:38:08 GMT 2023
PRIMARY
CAS
104789-79-9
Created by admin on Sat Dec 16 12:38:08 GMT 2023 , Edited by admin on Sat Dec 16 12:38:08 GMT 2023
PRIMARY