Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C76H51O46.C20H18NO4 |
| Molecular Weight | 2036.5518 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(OC)C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(OCO5)C=C4CC3.OC6=CC(=CC(O)=C6O)C(=O)OC7=CC(=CC(O)=C7O)C(=O)OC[C@H]8O[C@@H](OC(=O)C9=CC(O)=C(O)C(OC(=O)C%10=CC(O)=C(O)C(O)=C%10)=C9)[C@H](OC(=O)C%11=CC(O)=C(O)C(OC(=O)C%12=CC(O)=C(O)C(O)=C%12)=C%11)[C@@H](OC(=O)C%13=CC(O)=C(O)C(OC(=O)C%14=CC(O)=C(O)C(O)=C%14)=C%13)[C@@H]8OC(=O)C%15=CC(O)=C(O)C(OC(=O)C%16=CC(O)=C([O-])C(O)=C%16)=C%15
InChI
InChIKey=ASLOQCPXFXCORP-HBNMXAOGSA-M
InChI=1S/C76H52O46.C20H18NO4/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26;1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h1-20,52,63-65,76-101H,21H2;3-4,7-10H,5-6,11H2,1-2H3/q;+1/p-1/t52-,63-,64+,65-,76+;/m1./s1
| Molecular Formula | C20H18NO4 |
| Molecular Weight | 336.3612 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C76H51O46 |
| Molecular Weight | 1700.1905 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 05:50:51 UTC 2023
by
admin
on
Sat Dec 16 05:50:51 UTC 2023
|
| Record UNII |
3JT0W0GL7J
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
CHEMBL2109102
Created by
admin on Sat Dec 16 05:50:51 UTC 2023 , Edited by admin on Sat Dec 16 05:50:51 UTC 2023
|
PRIMARY | |||
|
165411863
Created by
admin on Sat Dec 16 05:50:51 UTC 2023 , Edited by admin on Sat Dec 16 05:50:51 UTC 2023
|
PRIMARY | |||
|
3JT0W0GL7J
Created by
admin on Sat Dec 16 05:50:51 UTC 2023 , Edited by admin on Sat Dec 16 05:50:51 UTC 2023
|
PRIMARY | |||
|
SUB13047MIG
Created by
admin on Sat Dec 16 05:50:51 UTC 2023 , Edited by admin on Sat Dec 16 05:50:51 UTC 2023
|
PRIMARY | |||
|
100000077168
Created by
admin on Sat Dec 16 05:50:51 UTC 2023 , Edited by admin on Sat Dec 16 05:50:51 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |
|
