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Details

Stereochemistry ABSOLUTE
Molecular Formula C127H201O134S17.19Na
Molecular Weight 4853.785
Optical Activity UNSPECIFIED
Defined Stereocenters 80 / 80
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SR-123781A

SMILES

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].COC[C@H]1O[C@H](O[C@@H]2[C@@H](COC)O[C@@H](O[C@@H]3[C@@H](COC)O[C@H](O[C@@H]4[C@@H](COC)O[C@@H](O[C@H]5[C@@H](COS([O-])(=O)=O)O[C@H](O[C@H]6[C@H](OC)[C@@H](OC)[C@H](O[C@@H]7[C@@H](COS([O-])(=O)=O)O[C@H](O[C@H]8[C@H](OC)[C@H](OC)[C@H](O[C@@H]9[C@@H](COS([O-])(=O)=O)O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@H]9OC)O[C@H]8C([O-])=O)[C@H](OS([O-])(=O)=O)[C@H]7OS([O-])(=O)=O)O[C@H]6C([O-])=O)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]3OC)[C@H](OC)[C@H]2OC)[C@H](OC)[C@@H](OC)[C@@H]1O[C@@H]%10O[C@H](COC)[C@@H](O[C@@H]%11O[C@H](COC)[C@@H](O[C@@H]%12O[C@H](COC)[C@@H](O[C@H]%13O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]%14O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]%15O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]%16O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]%16OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]%15OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]%14OS([O-])(=O)=O)[C@H](OC)[C@H]%13OC)[C@H](OC)[C@H]%12OC)[C@H](OC)[C@H]%11OC)[C@H](OC)[C@H]%10OC

InChI

InChIKey=RRHHPXJSGSYSHW-ZURHXDBDSA-A
InChI=1S/C127H220O134S17.19Na/c1-183-32-46-60(235-114-95(203-21)76(192-10)62(48(223-114)34-185-3)237-116-97(205-23)78(194-12)64(50(225-116)36-187-5)239-118-99(207-25)80(196-14)66(52(227-118)38-189-7)241-120-101(209-27)82(198-16)68(55(229-120)41-216-264(138,139)140)244-124-106(258-275(171,172)173)89(254-271(159,160)161)71(57(231-124)43-218-266(144,145)146)246-125-107(259-276(174,175)176)90(255-272(162,163)164)72(58(232-125)44-219-267(147,148)149)247-126-109(261-278(180,181)182)91(256-273(165,166)167)73(252-269(153,154)155)59(234-126)45-220-268(150,151)152)74(190-8)94(202-20)113(222-46)236-61-47(33-184-2)224-115(96(204-22)75(61)191-9)238-63-49(35-186-4)226-117(98(206-24)77(63)193-11)240-65-51(37-188-6)228-119(100(208-26)79(65)195-13)242-67-54(40-215-263(135,136)137)230-121(102(210-28)81(67)197-15)248-86-84(200-18)104(212-30)123(251-92(86)110(128)129)245-70-56(42-217-265(141,142)143)233-127(108(260-277(177,178)179)88(70)253-270(156,157)158)249-87-85(201-19)103(211-29)122(250-93(87)111(130)131)243-69-53(39-214-262(132,133)134)221-112(213-31)105(83(69)199-17)257-274(168,169)170;;;;;;;;;;;;;;;;;;;/h46-109,112-127H,32-45H2,1-31H3,(H,128,129)(H,130,131)(H,132,133,134)(H,135,136,137)(H,138,139,140)(H,141,142,143)(H,144,145,146)(H,147,148,149)(H,150,151,152)(H,153,154,155)(H,156,157,158)(H,159,160,161)(H,162,163,164)(H,165,166,167)(H,168,169,170)(H,171,172,173)(H,174,175,176)(H,177,178,179)(H,180,181,182);;;;;;;;;;;;;;;;;;;/q;19*+1/p-19/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,72-,73-,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103+,104-,105+,106-,107-,108-,109-,112+,113-,114+,115+,116+,117-,118+,119+,120-,121-,122-,123-,124+,125-,126-,127-;;;;;;;;;;;;;;;;;;;/m1.................../s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
MOL RATIO 19 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C127H201O134S17
Molecular Weight 4416.979
Charge -19
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 80 / 80
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
V952P6826M
Record Status Validated (UNII)
Record Version