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2,8,14,20-Tetraundecylpentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-4,6,10,12,16,18,22,24-octol | CAS No. 112247-07-1

2,8,14,20-Tetraundecylpentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-4,6,10,12,16,18,22,24-octol

Basic Information

Chemical_Structure_Of

CAS Number

112247-07-1

Molecular Formula

C72H112O8

Molecular Weight

1105.68 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

293-295 °C

Boiling Point

1082.7°Cat760mmHg

Density

1.039

Flash Point

326.9°C

Refractive Index

1.544

SMILES

CCCCCCCCCCCC1C2=CC(=C(C=C2O)O)C(C3=CC(=C(C=C3O)O)C(C4=C(C=C(C(=C4)C(C5=C(C=C(C1=C5)O)O)CCCCCCCCCCC)O)O)CCCCCCCCCCC)CCCCCCCCCCC

InChI

InChI=1S/C72H112O8/c1-5-9-13-17-21-25-29-33-37-41-53-57-45-59(67(75)49-65(57)73)54(42-38-34-30-26-22-18-14-10-6-2)61-47-63(71(79)51-69(61)77)56(44-40-36-32-28-24-20-16-12-8-4)64-48-62(70(78)52-72(64)80)55(60-46-58(53)66(74)50-68(60)76)43-39-35-31-27-23-19-15-11-7-3/h45-56,73-80H,5-44H2,1-4H3

InChIKey

NLPGYPIHQCVVRO-UHFFFAOYSA-N

LogP

21.85600000000002

Topological Polar Surface Area

161.84 Å²

Hydrogen Bond Donor/Acceptor

8 / 8

Complexity

1220

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 4.1 Class 4.1

Synonyms & References

English

SCHEMBL946358
(2s,4s,6s,8s)-2,4,6,8-tetraundecyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphan-14,16,34,36,54,56,74,76-octaol
C-Undecylcalix[4]resorcinarene monohydrate
C-Undecylcalix[4]resorcinarene
C-UNDECYLCALIX(4)RESORCINARENE CH3OH
SCHEMBL16543539
2,4,6,8-Tetraundecyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphan-14,16,34,36,54,56,74,76-octaol
112247-07-1
C-Undecylcalix[4]resorcinarenemonohydrate
847018-76-2
SCHEMBL12733303
2,8,14,20-tetra(undecyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
2,8,14,20-Tetra(n-undecyl)resorcin[4]arene
116780-43-9
C-UNDECYLCALIX[4]RESORCINARENE MONOHYDRATE
1-Acetoxy-4-methylcalixarene
4-Methyl-1-acetoxycalixarene [mixture of [6] and [8]] (contains 5-Acetone)
c-undecylcalix[4]resorcinarene
Hexamethyl(hexaacetoxy)calixarene
C-Undecylcalix[4]resorcinarene C-UNDECYLCALIX[4]RESORCINARENE MONOHYDRATE
4-Methyl-1-acetoxycalixarene [mixture of [6] and [8]] (contains 5-10% Acetone)

MDL Number

MFCD00192571

Related Compounds

(R)-tert-Butyl 3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate structure

(R)-tert-Butyl 3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate

CAS Number: 1022150-11-3

Molecular Formula: C27H30N6O3

2-Hydroxy-5-nitro-1H-isoindole-1,3(2H)-dione structure

2-Hydroxy-5-nitro-1H-isoindole-1,3(2H)-dione

CAS Number: 105969-98-0

Molecular Formula: C8H4N2O5

H-Glu(otbu)-nh2 hydrochloride structure

H-Glu(otbu)-nh2 hydrochloride

CAS Number: 108607-02-9

Molecular Formula: C9H19ClN2O3

[(3aS,5R,6S,6aS)-6-Hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl](4-morpholinyl)methanone (non-preferred name) structure

[(3aS,5R,6S,6aS)-6-Hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl](4-morpholinyl)methanone (non-preferred name)

CAS Number: 1103738-19-7

Molecular Formula: C12H19NO6

MYO-INOSITOL HEXAKIS(DIHYDROGEN PHOSPHATE), DODECASODIUM SALT HYDRATE structure

MYO-INOSITOL HEXAKIS(DIHYDROGEN PHOSPHATE), DODECASODIUM SALT HYDRATE

CAS Number: 123408-98-0

Molecular Formula: C6H8Na12O25P6

2-Methyl-2-propanyl (3S)-3-cyano-1-pyrrolidinecarboxylate structure

2-Methyl-2-propanyl (3S)-3-cyano-1-pyrrolidinecarboxylate

CAS Number: 132945-78-9

Molecular Formula: C10H16N2O2

(4-Chlorophenyl)(3,4-dihydroxyphenyl)methanone structure

(4-Chlorophenyl)(3,4-dihydroxyphenyl)methanone

CAS Number: 134612-84-3

Molecular Formula: C13H9ClO3

3-(4-Methyl-1-piperazinyl)aniline structure

3-(4-Methyl-1-piperazinyl)aniline

CAS Number: 148546-99-0

Molecular Formula: C11H17N3

(5R)-5-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2(5H)-furanone structure

(5R)-5-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2(5H)-furanone

CAS Number: 15042-01-0

Molecular Formula: C9H12O6

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Supplier Information

Shanghai Hansi Chemical Co., Ltd.

CAS Number: 112247-07-1

Shanghai Jieshukai Biotechnology Co., Ltd.

CAS Number: 112247-07-1

Hubei Shixing Chemical Co., Ltd.

CAS Number: 112247-07-1

ShangHaiMaiRuiErShengHua Technology Co Ltd

CAS Number: 112247-07-1

ShangHaiMaiKeLinShengHuaKeJi Inc

CAS Number: 112247-07-1

Shanghai Jixiang Biotechnology Co., Ltd.

CAS Number: 112247-07-1

Hubei Rike Chemical Co., Ltd.

CAS Number: 112247-07-1

ShenZhenAiTaHuaXue Co Ltd

CAS Number: 112247-07-1

ShangHaiChuangSai Technology Co Ltd

CAS Number: 112247-07-1

Shanghai Yuyeh Biotechnology Co., Ltd.

CAS Number: 112247-07-1

Shanghai Aladdin Bio-Technologies Co., Ltd.

CAS Number: 112247-07-1