SECALONIC ACID C

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=C(C(=O)C1=C(O)C[C@@H](C)[C@@H]2O)C(O)=C(C=C3)C4=C(O)C5=C(O[C@]6([C@@H](O)[C@@H](C)CC(O)=C6C5=O)C(=O)OC)C=C4

InChI

InChIKey=DRYDKQOPVBDZMQ-PBAWWTFPSA-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 `Mon Mar 31 21:08:53 GMT 2025` Edited by `admin` on `Mon Mar 31 21:08:53 GMT 2025`
Record UNII	BV9494E40E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SECALONIC ACID C

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'S*,4'R*,4'AR*)))-

Preferred Name

English

ERGOCHROME AB(2,2')

Common Name

English

Code System Code Type Description

FDA UNII

BV9494E40E

Created by admin on Mon Mar 31 21:08:53 GMT 2025 , Edited by admin on Mon Mar 31 21:08:53 GMT 2025

PRIMARY

CAS

35287-70-8

Created by admin on Mon Mar 31 21:08:53 GMT 2025 , Edited by admin on Mon Mar 31 21:08:53 GMT 2025

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