Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 5C87H98Cl2N10O28.8ClH |
Molecular Weight | 9305.014 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 90 / 90 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.[H][C@@]1(NC(=O)CCCCCCCCCC)[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C3OC4=CC=C(C[C@H]5NC(=O)[C@H](NC)C6=CC(OC7=CC([C@H](NC5=O)C(=O)N[C@@H]8C(C=C2OC9=C(Cl)C=C(C=C9)[C@@H](O)[C@@H]%10NC(=O)[C@H](NC8=O)C%11=CC(=C(O)C=C%11)C%12=C(C=C(O)C=C%12O[C@H]%13O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%13O)[C@H](NC%10=O)C(=O)NCCCN(C)C)=C3)=C(Cl)C(O)=C7)=C(O)C=C6)C=C4)C(O)=O.[H][C@@]%14(NC(=O)CCCCCCCCCC)[C@@H](O)[C@H](O)[C@H](O[C@H]%14OC%15=C%16OC%17=CC=C(C[C@H]%18NC(=O)[C@H](NC)C%19=CC(OC%20=CC([C@H](NC%18=O)C(=O)N[C@@H]%21C(C=C%15OC%22=C(Cl)C=C(C=C%22)[C@@H](O)[C@@H]%23NC(=O)[C@H](NC%21=O)C%24=CC(=C(O)C=C%24)C%25=C(C=C(O)C=C%25O[C@H]%26O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%26O)[C@H](NC%23=O)C(=O)NCCCN(C)C)=C%16)=C(Cl)C(O)=C%20)=C(O)C=C%19)C=C%17)C(O)=O.[H][C@@]%27(NC(=O)CCCCCCCCCC)[C@@H](O)[C@H](O)[C@H](O[C@H]%27OC%28=C%29OC%30=CC=C(C[C@H]%31NC(=O)[C@H](NC)C%32=CC(OC%33=CC([C@H](NC%31=O)C(=O)N[C@@H]%34C(C=C%28OC%35=C(Cl)C=C(C=C%35)[C@@H](O)[C@@H]%36NC(=O)[C@H](NC%34=O)C%37=CC(=C(O)C=C%37)C%38=C(C=C(O)C=C%38O[C@H]%39O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%39O)[C@H](NC%36=O)C(=O)NCCCN(C)C)=C%29)=C(Cl)C(O)=C%33)=C(O)C=C%32)C=C%30)C(O)=O.[H][C@@]%40(NC(=O)CCCCCCCCCC)[C@@H](O)[C@H](O)[C@H](O[C@H]%40OC%41=C%42OC%43=CC=C(C[C@H]%44NC(=O)[C@H](NC)C%45=CC(OC%46=CC([C@H](NC%44=O)C(=O)N[C@@H]%47C(C=C%41OC%48=C(Cl)C=C(C=C%48)[C@@H](O)[C@@H]%49NC(=O)[C@H](NC%47=O)C%50=CC(=C(O)C=C%50)C%51=C(C=C(O)C=C%51O[C@H]%52O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%52O)[C@H](NC%49=O)C(=O)NCCCN(C)C)=C%42)=C(Cl)C(O)=C%46)=C(O)C=C%45)C=C%43)C(O)=O.[H][C@@]%53(NC(=O)CCCCCCCCCC)[C@@H](O)[C@H](O)[C@H](O[C@H]%53OC%54=C%55OC%56=CC=C(C[C@H]%57NC(=O)[C@H](NC)C%58=CC(OC%59=CC([C@H](NC%57=O)C(=O)N[C@@H]%60C(C=C%54OC%61=C(Cl)C=C(C=C%61)[C@@H](O)[C@@H]%62NC(=O)[C@H](NC%60=O)C%63=CC(=C(O)C=C%63)C%64=C(C=C(O)C=C%64O[C@H]%65O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%65O)[C@H](NC%62=O)C(=O)NCCCN(C)C)=C%55)=C(Cl)C(O)=C%59)=C(O)C=C%58)C=C%56)C(O)=O
InChI
InChIKey=MQVCEBIOFIUZDQ-BBMAAFOLSA-N
InChI=1S/5C87H98Cl2N10O28.8ClH/c5*1-5-6-7-8-9-10-11-12-14-60(105)93-69-72(108)74(110)77(85(119)120)127-86(69)126-76-57-31-42-32-58(76)123-54-24-19-41(29-49(54)88)70(106)68-84(118)97-66(79(113)91-25-13-26-99(3)4)47-33-43(101)34-56(124-87-75(111)73(109)71(107)59(37-100)125-87)61(47)46-28-39(17-22-51(46)102)64(81(115)98-68)94-82(116)65(42)95-83(117)67-48-35-45(36-53(104)62(48)89)122-55-30-40(18-23-52(55)103)63(90-2)80(114)92-50(78(112)96-67)27-38-15-20-44(121-57)21-16-38;;;;;;;;/h5*15-24,28-36,50,59,63-75,77,86-87,90,100-104,106-111H,5-14,25-27,37H2,1-4H3,(H,91,113)(H,92,114)(H,93,105)(H,94,116)(H,95,117)(H,96,112)(H,97,118)(H,98,115)(H,119,120);8*1H/t5*50-,59-,63-,64-,65-,66+,67+,68+,69-,70-,71-,72-,73+,74+,75+,77+,86-,87+;;;;;;;;/m11111......../s1
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C87H98Cl2N10O28 |
Molecular Weight | 1802.665 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 18 / 18 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:50:18 GMT 2023
by
admin
on
Sat Dec 16 13:50:18 GMT 2023
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Record UNII |
T02D4M8LWN
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Record Status |
Validated (UNII)
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Record Version |
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-
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Common Name | English |
Code System | Code | Type | Description | ||
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T02D4M8LWN
Created by
admin on Sat Dec 16 13:50:18 GMT 2023 , Edited by admin on Sat Dec 16 13:50:18 GMT 2023
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