SENNOSIDE C CALCIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C42H39O19.Ca
Molecular Weight	1735.573
Optical Activity	UNSPECIFIED
Defined Stereocenters	24 / 24
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(CO)C=C4O)[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.[H][C@]9(C%10=CC=CC(O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)=C%10C(=O)C%12=C9C=C(CO)C=C%12O)[C@]%13([H])C%14=C(C(=O)C%15=C%13C=C(C=C%15O)C([O-])=O)C(O[C@@H]%16O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%16O)=CC=C%14

InChI

InChIKey=SOXKOVVTXPEYON-HSZSCICCSA-L

InChI=1S/2C42H40O19.Ca/c2*43-11-14-7-18-26(16-3-1-5-22(30(16)34(50)28(18)20(46)8-14)58-41-38(54)36(52)32(48)24(12-44)60-41)27-17-4-2-6-23(59-42-39(55)37(53)33(49)25(13-45)61-42)31(17)35(51)29-19(27)9-15(40(56)57)10-21(29)47;/h2*1-10,24-27,32-33,36-39,41-49,52-55H,11-13H2,(H,56,57);/q;;+2/p-2/t2*24-,25-,26-,27-,32-,33-,36+,37+,38-,39-,41-,42-;/m11./s1

HIDE SMILES / InChI

Molecular Formula	C42H39O19
Molecular Weight	847.7477
Charge	-1
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 08:32:02 GMT 2023` Edited by `admin` on `Sat Dec 16 08:32:02 GMT 2023`
Record UNII	0MN8LT8BIW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SENNOSIDE C CALCIUM

Common Name

English

Code System Code Type Description

PUBCHEM

76969080

Created by admin on Sat Dec 16 08:32:02 GMT 2023 , Edited by admin on Sat Dec 16 08:32:02 GMT 2023

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FDA UNII

0MN8LT8BIW

Created by admin on Sat Dec 16 08:32:02 GMT 2023 , Edited by admin on Sat Dec 16 08:32:02 GMT 2023

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