PUNIGLUCONIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H26O23
Molecular Weight	802.5564
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(OC(=O)C2=CC(O)=C(O)C(O)=C2C3=C(C=C(O)C(O)=C3O)C(=O)OC[C@H]1O)[C@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)C(O)=O

InChI

InChIKey=KZEYIYXACMUTRM-WIMKJKQSSA-N

InChI=1S/C34H26O23/c35-12-1-8(2-13(36)21(12)42)31(50)56-28(29(30(48)49)57-32(51)9-3-14(37)22(43)15(38)4-9)27-18(41)7-54-33(52)10-5-16(39)23(44)25(46)19(10)20-11(34(53)55-27)6-17(40)24(45)26(20)47/h1-6,18,27-29,35-47H,7H2,(H,48,49)/t18-,27-,28+,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H26O23
Molecular Weight	802.5564
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:12:03 GMT 2023` Edited by `admin` on `Sat Dec 16 09:12:03 GMT 2023`
Record UNII	9D6FCK37Q3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PUNIGLUCONIN

Common Name

English

(2R,3S)-3-((10R,11R)-3,4,5,11,17,18,19-HEPTAHYDROXY-8,14-DIOXO-9,13-DIOXATRICYCLO(13.4.0.02,7)NONADECA-1(19),2,4,6,15,17-HEXAEN-10-YL)-2,3-BIS((3,4,5-TRIHYDROXYBENZOYL)OXY)PROPANOIC ACID

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Punigluconin