ERGOCHRYSIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H28O14
Molecular Weight	624.5456
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@]12OC3=CC=C(C(O)=C3C(=O)C1=C(O)C[C@@H](C)[C@@H]2O)C4=C(O)C5=C(O[C@]67[C@@H](O)[C@@H](C)C[C@H](OC6=O)[C@]7(O)C5=O)C=C4

InChI

InChIKey=ZDFMCIIBGIKWCG-XQRLWPQJSA-N

InChI=1S/C31H28O14/c1-10-8-14(32)20-23(35)18-15(44-29(20,24(10)36)27(39)42-3)6-4-12(21(18)33)13-5-7-16-19(22(13)34)26(38)30(41)17-9-11(2)25(37)31(30,45-16)28(40)43-17/h4-7,10-11,17,24-25,32-34,36-37,41H,8-9H2,1-3H3/t10-,11+,17+,24+,25+,29+,30+,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H28O14
Molecular Weight	624.5456
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:37:52 GMT 2023` Edited by `admin` on `Sat Dec 16 12:37:52 GMT 2023`
Record UNII	Y0ON549T8S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ERGOCHRYSIN A

Common Name

English

4AH-XANTHENE-4A-CARBOXYLIC ACID, 7-(1,2,3,4,9,9A-HEXAHYDRO-4,8,9A-TRIHYDROXY-3-METHYL-9,11-DIOXO-1,4A-(EPOXYMETHANO)-4AH-XANTHEN-7-YL)-2,3,4,9-TETRAHYDRO-1,4,8-TRIHYDROXY-3-METHYL-9-OXO-, METHYL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

Y0ON549T8S

Created by admin on Sat Dec 16 12:37:52 GMT 2023 , Edited by admin on Sat Dec 16 12:37:52 GMT 2023

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CAS

2755-83-1

Created by admin on Sat Dec 16 12:37:52 GMT 2023 , Edited by admin on Sat Dec 16 12:37:52 GMT 2023

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