SECALONIC ACID B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H30O14
Molecular Weight	638.5722
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
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=CC=C5O[C@]6([C@@H](O)[C@@H](C)CC(O)=C6C(=O)C5=C4O)C(=O)OC

InChI

InChIKey=DRYDKQOPVBDZMQ-HFEWAROQSA-N

InChI=1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,33-36,39-40H,9-10H2,1-4H3/t11-,12-,27-,28-,31+,32+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H30O14
Molecular Weight	638.5722
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:02:14 GMT 2023` Edited by `admin` on `Sat Dec 16 02:02:14 GMT 2023`
Record UNII	STF85NNG7A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SECALONIC ACID B

Common Name

English

ERGOCHROME BB(2,2')

Brand Name

English

(7,7'-BI-4AH-XANTHENE)-4A,4'A-DICARBOXYLIC ACID, 2,2',3,3',4,4',9,9'-OCTAHYDRO-1,1',4,4',8,8'-HEXAHYDROXY-3,3'-DIMETHYL-9,9'-DIOXO-, DIMETHYL ESTER, (3S,3'S,4S,4'S,4AR,4'AR)-

Common Name

English

ACIDE SECALONIQUE B

Common Name

English

(7,7'-BI-4AH-XANTHENE)-4A,4'A-DICARBOXYLIC ACID, 2,2',3,3',4,4',9,9'-OCTAHYDRO-1,1',4,4',8,8'-HEXAHYDROXY-3,3'-DIMETHYL-9,9'-DIOXO-, DIMETHYL ESTER, (3S-(3.ALPHA.,4.ALPHA.,4A.BETA.,7(3'R*,4'R*,4'AS*)))-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10956726

Created by admin on Sat Dec 16 02:02:14 GMT 2023 , Edited by admin on Sat Dec 16 02:02:14 GMT 2023

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FDA UNII

STF85NNG7A

Created by admin on Sat Dec 16 02:02:14 GMT 2023 , Edited by admin on Sat Dec 16 02:02:14 GMT 2023

PRIMARY

CAS

35287-71-9

Created by admin on Sat Dec 16 02:02:14 GMT 2023 , Edited by admin on Sat Dec 16 02:02:14 GMT 2023

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