Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C76H52O46.C16H17ClN2S |
| Molecular Weight | 2006.036 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(C)CCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2.OC4=CC(=CC(O)=C4O)C(=O)OC5=CC(=CC(O)=C5O)C(=O)OC[C@H]6O[C@@H](OC(=O)C7=CC(O)=C(O)C(OC(=O)C8=CC(O)=C(O)C(O)=C8)=C7)[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]6OC(=O)C%13=CC(O)=C(O)C(OC(=O)C%14=CC(O)=C(O)C(O)=C%14)=C%13
InChI
InChIKey=AZCQEAPDAOFOHO-HBNMXAOGSA-N
InChI=1S/C76H52O46.C16H17ClN2S/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;1-18(2)9-10-19-13-5-3-4-6-15(13)20-16-8-7-12(17)11-14(16)19/h1-20,52,63-65,76-101H,21H2;3-8,11H,9-10H2,1-2H3/t52-,63-,64+,65-,76+;/m1./s1
| Molecular Formula | C16H17ClN2S |
| Molecular Weight | 304.838 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C76H52O46 |
| Molecular Weight | 1701.1985 |
| 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
Sat Dec 16 06:58:32 GMT 2023
by
admin
on
Sat Dec 16 06:58:32 GMT 2023
|
| Record UNII |
Z8ZVQ8Z378
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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100000143115
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SUB118805
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CHEMBL71
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