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++].OC[C@H]1O[C@@H](OC2=CC=CC3=C2C(=O)C4=C(O)C=C(C=C4[C@@H]3[C@@H]5C6=CC=CC(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)=C6C(=O)C8=C(O)C=C(CO)C=C58)C([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]9O[C@@H](OC%10=CC=CC%11=C%10C(=O)C%12=C(O)C=C(C=C%12[C@@H]%11[C@@H]%13C%14=CC=CC(O[C@@H]%15O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%15O)=C%14C(=O)C%16=C(O)C=C(CO)C=C%13%16)C([O-])=O)[C@H](O)[C@@H](O)[C@@H]9O

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 `Mon Mar 31 22:08:56 GMT 2025` Edited by `admin` on `Mon Mar 31 22:08:56 GMT 2025`
Record UNII	0MN8LT8BIW
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SENNOSIDE C CALCIUM

Preferred Name

English

Code System Code Type Description

PUBCHEM

76969080

Created by admin on Mon Mar 31 22:08:56 GMT 2025 , Edited by admin on Mon Mar 31 22:08:56 GMT 2025

PRIMARY

FDA UNII

0MN8LT8BIW

Created by admin on Mon Mar 31 22:08:56 GMT 2025 , Edited by admin on Mon Mar 31 22:08:56 GMT 2025

PRIMARY