CASUARININ

Details

Stereochemistry	UNKNOWN
Molecular Formula	C41H28O26
Molecular Weight	936.6454
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1C2OC(=O)C3=C(C(O)=C(O)C(O)=C13)C4=C(O)C(O)=C(O)C=C4C(=O)OC2C5OC(=O)C6=CC(O)=C(O)C(O)=C6C7=C(O)C(O)=C(O)C=C7C(=O)OCC5OC(=O)C8=CC(O)=C(O)C(O)=C8

InChI

InChIKey=MMQXBTULXAEKQE-UHFFFAOYSA-N

InChI=1S/C41H28O26/c42-11-1-7(2-12(43)23(11)47)37(58)64-16-6-63-38(59)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)39(60)65-34(16)36-35-32(56)22-21(41(62)66-35)20(30(54)33(57)31(22)55)19-10(40(61)67-36)5-15(46)26(50)29(19)53/h1-5,16,32,34-36,42-57H,6H2

HIDE SMILES / InChI

Molecular Formula	C41H28O26
Molecular Weight	936.6454
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:29:14 GMT 2023` Edited by `admin` on `Sat Dec 16 17:29:14 GMT 2023`
Record UNII	S45A8T6Q4C
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CASUARININ

Common Name

English

NEOVESCALIN, 11-DE(6-CARBOXY-2,3,4-TRIHYDROXYPHENYL)-, CYCLIC 16,18-(4,4,5,5,6,6-HEXAHYDROXY(1,1-BIPHENYL)-2,2-DICARBOXYLATE) 17-(3,4,5-TRIHYDROXYBENZOATE), (15.BETA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

S45A8T6Q4C