SENNOSIDE A CALCIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H36O20.Ca
Molecular Weight	900.801
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].[H][C@]1(C2=CC=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2C(=O)C4=C1C=C(C=C4O)C([O-])=O)[C@]5([H])C6=C(C(=O)C7=C5C=C(C=C7O)C([O-])=O)C(O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)=CC=C6

InChI

InChIKey=JQVYZJIFFAHQKX-LBOMIADRSA-L

InChI=1S/C42H38O20.Ca/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46;/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58);/q;+2/p-2/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C42H36O20
Molecular Weight	860.7232
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:51:30 UTC 2023` Edited by `admin` on `Sat Dec 16 09:51:30 UTC 2023`
Record UNII	0ZS912W56A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SENNOSIDE A CALCIUM

Common Name

English

(9,9'-BIANTHRACENE)-2,2'-DICARBOXYLIC ACID, 5,5'-BIS(.BETA.-D-GLUCOPYRANOSYLOXY)-9,9',10,10'-TETRAHYDRO-4,4'-DIHYDROXY-10,10'-DIOXO-, CALCIUM SALT

Systematic Name

English

Code System Code Type Description

FDA UNII

0ZS912W56A

Created by admin on Sat Dec 16 09:51:30 UTC 2023 , Edited by admin on Sat Dec 16 09:51:30 UTC 2023

PRIMARY

CAS

52730-36-6

Created by admin on Sat Dec 16 09:51:30 UTC 2023 , Edited by admin on Sat Dec 16 09:51:30 UTC 2023

NON-SPECIFIC STOICHIOMETRY

PUBCHEM

73416393

Created by admin on Sat Dec 16 09:51:30 UTC 2023 , Edited by admin on Sat Dec 16 09:51:30 UTC 2023

PRIMARY

ECHA (EC/EINECS)

258-140-5

Created by admin on Sat Dec 16 09:51:30 UTC 2023 , Edited by admin on Sat Dec 16 09:51:30 UTC 2023

PRIMARY

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