ERGOFLAVIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H26O14
Molecular Weight	610.519
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1C[C@@H]2OC(=O)[C@]3(OC4=C(C(=O)[C@@]23O)C(O)=C(C=C4)C5=C(O)C6=C(O[C@]78[C@@H](O)[C@@H](C)C[C@H](OC7=O)[C@]8(O)C6=O)C=C5)[C@H]1O

InChI

InChIKey=RAVDMGKYJQVXDU-JIGMLREDSA-N

InChI=1S/C30H26O14/c1-9-7-15-27(39)23(35)17-13(43-29(27,21(9)33)25(37)41-15)5-3-11(19(17)31)12-4-6-14-18(20(12)32)24(36)28(40)16-8-10(2)22(34)30(28,44-14)26(38)42-16/h3-6,9-10,15-16,21-22,31-34,39-40H,7-8H2,1-2H3/t9-,10-,15-,16-,21-,22-,27-,28-,29+,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H26O14
Molecular Weight	610.519
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:35:24 GMT 2023` Edited by `admin` on `Sat Dec 16 08:35:24 GMT 2023`
Record UNII	073919Y865
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ERGOFLAVIN

Common Name

English

(1S,1'S,3S,3'S,4S,4'S,4AS,4'AS,9AR,9'AR)-1,1',3,3',4,4',9A,9'A-OCTAHYDRO-4,4',8,8',9A,9'A-HEXAHYDROXY-3,3'-DIMETHYL-(7,7'-BI-1,4A-(EPOXYMETHANO)-4AH-XANTHENE)-9,9',11,11'(2H,2'H)-TETRONE

Systematic Name

English

ERGOCHROME CC(2,2')

Common Name

English

ERGOFLAVIN [MI]

Common Name

English

(7,7'-BI-1,4A-(EPOXYMETHANO)-4AH-XANTHENE)-9,9',11,11'(2H,2'H)-TETRONE, 1,1',3,3',4,4',9A,9'A-OCTAHYDRO-4,4',8,8',9A,9'A-HEXAHYDROXY-3,3'-DIMETHYL-, (1S,1'S,3S,3'S,4S,4'S,4AS,4'AS,9AR,9'AR)-

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m4979

Created by admin on Sat Dec 16 08:35:24 GMT 2023 , Edited by admin on Sat Dec 16 08:35:24 GMT 2023

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Merck Index

FDA UNII

073919Y865

Created by admin on Sat Dec 16 08:35:24 GMT 2023 , Edited by admin on Sat Dec 16 08:35:24 GMT 2023

PRIMARY

CAS

3101-51-7

Created by admin on Sat Dec 16 08:35:24 GMT 2023 , Edited by admin on Sat Dec 16 08:35:24 GMT 2023

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PUBCHEM

12309766

Created by admin on Sat Dec 16 08:35:24 GMT 2023 , Edited by admin on Sat Dec 16 08:35:24 GMT 2023

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