Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C80H56O48.C2H4O2 |
| Molecular Weight | 1845.3238 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.CC(=O)OC1=CC(=CC(O)=C1O)C(=O)OC2=C(O)C(O)=CC(=C2)C(=O)O[C@H]3O[C@@H](COC(=O)C4=CC(OC(=O)C5=CC(O)=C(O)C(O)=C5)=C(O)C(O)=C4)[C@H](OC(=O)C6=CC(OC(=O)C7=CC(O)=C(O)C(O)=C7)=C(O)C(O)=C6)[C@@H](OC(=O)C8=CC(OC(=O)C9=CC(O)=C(O)C(O)=C9)=C(O)C(O)=C8)[C@@H]3OC(=O)C%10=CC(OC(=O)C%11=CC(O)=C(O)C(OC(C)=O)=C%11)=C(O)C(O)=C%10
InChI
InChIKey=IPVDZJRROGTYOR-WZMKHLESSA-N
InChI=1S/C80H56O48.C2H4O2/c1-24(81)117-49-17-30(10-43(90)60(49)99)74(110)122-54-21-34(14-47(94)65(54)104)78(114)127-69-68(126-77(113)33-13-46(93)64(103)53(20-33)121-73(109)28-7-40(87)59(98)41(88)8-28)67(125-76(112)32-12-45(92)63(102)52(19-32)120-72(108)27-5-38(85)58(97)39(86)6-27)56(23-116-70(106)29-9-42(89)62(101)51(16-29)119-71(107)26-3-36(83)57(96)37(84)4-26)124-80(69)128-79(115)35-15-48(95)66(105)55(22-35)123-75(111)31-11-44(91)61(100)50(18-31)118-25(2)82;1-2(3)4/h3-22,56,67-69,80,83-105H,23H2,1-2H3;1H3,(H,3,4)/t56-,67-,68+,69-,80+;/m0./s1
| Molecular Formula | C2H4O2 |
| Molecular Weight | 60.052 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C80H56O48 |
| Molecular Weight | 1785.2718 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 3 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:00:43 GMT 2023
by
admin
on
Fri Dec 15 17:00:43 GMT 2023
|
| Record UNII |
6S8G786WHK
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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6S8G786WHK
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131634791
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CHEMBL2108908
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DTXSID30161153
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1397-74-6
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m1366
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215-741-7
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admin on Fri Dec 15 17:00:43 GMT 2023 , Edited by admin on Fri Dec 15 17:00:43 GMT 2023
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