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(1S,5R,6S,13R,21R)-5,13-Bis(3,4-dihydroxyphenyl)-16-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0~2,11~.0~3,8~.0~15,20~]henicosa-2 ,8,10,15,17,19-hexaene-6,9,17,19,21-pentol | CAS No. 114637-81-9

(1S,5R,6S,13R,21R)-5,13-Bis(3,4-dihydroxyphenyl)-16-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0~2,11~.0~3,8~.0~15,20~]henicosa-2 ,8,10,15,17,19-hexaene-6,9,17,19,21-pentol

Basic Information

Chemical_Structure_Of

CAS Number

114637-81-9

Molecular Formula

C45H36O18

Molecular Weight

864.77 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc4c(c3O2)[C@H]5c6c(cc(c(c6O[C@]([C@@H]5O)(O4)c7ccc(c(c7)O)O)[C@H]8c9c(cc(cc9O[C@@H]([C@@H]8O)c1ccc(c(c1)O)O)O)O)O)O)O)O)O)O

InChI

InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)60-41(16-2-5-21(48)25(52)8-16)39(58)37(33)34-28(55)13-29(56)35-38-36-32(62-45(44(38)59,63-43(34)35)17-3-6-22(49)26(53)9-17)14-23(50)19-12-30(57)40(61-42(19)36)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38+,39+,40+,41+,44+,45+/m0/s1

InChIKey

SRWJAXVAWDYXPA-ACNGEOCHSA-N

LogP

4.242400000000014

Topological Polar Surface Area

320.14000000000004 Å²

Hydrogen Bond Donor/Acceptor

14 / 18

Synonyms & References

English

epicatechin-(4beta->6)-epicatechin-(4beta->8, 2beta->O->7)-catechin
Peanut procyanidin D

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

1,3-Dibromo-2,4-dichloro-5-fluorobenzene

CAS Number: 1000573-45-4

Molecular Formula: C6HFCl2Br2

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

CAS Number: 103687-96-3

Molecular Formula: C17H19NO5S

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9 structure

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine structure

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate structure

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

CAS Number: 116543-91-0

Molecular Formula: C11H7FO4

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

CAS Number: 121055-10-5

Molecular Formula: C17H17NO4

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine structure

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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Supplier Information

Shanghai Yuyeh Biotechnology Co., Ltd.

CAS Number: 114637-81-9

Shanghai SameSharp Biotechnology Co., Ltd.

CAS Number: 114637-81-9

SiChuanWeiKeJi Biotechnology Co Ltd

CAS Number: 114637-81-9

ChengDouCaoYuanKang Biotechnology Co Ltd

CAS Number: 114637-81-9