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
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(C=C58)C([O-])=O)C([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O
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
Approval Year
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Preferred Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
0ZS912W56A
Created by
admin on Mon Mar 31 22:52:23 GMT 2025 , Edited by admin on Mon Mar 31 22:52:23 GMT 2025
|
PRIMARY | |||
|
52730-36-6
Created by
admin on Mon Mar 31 22:52:23 GMT 2025 , Edited by admin on Mon Mar 31 22:52:23 GMT 2025
|
NON-SPECIFIC STOICHIOMETRY | |||
|
73416393
Created by
admin on Mon Mar 31 22:52:23 GMT 2025 , Edited by admin on Mon Mar 31 22:52:23 GMT 2025
|
PRIMARY | |||
|
258-140-5
Created by
admin on Mon Mar 31 22:52:23 GMT 2025 , Edited by admin on Mon Mar 31 22:52:23 GMT 2025
|
PRIMARY |
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD
