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Substance Name: Phoratoxin B (reduced) 46
RN: 86596-04-5
InChIKey: WPRNWBUVGKWTNS-TYTKTJGNSA-N

Molecular Formula

  • C204-H330-N64-O64-S6

Molecular Weight

  • 4873.5846
 
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Names and Synonyms

  • Phoratoxin B (reduced) 46

Registry Numbers

CAS Registry Number

  • 86596-04-5

System Generated Number

  • 0086596045

Structure Descriptors

InChI

1S/C204H324N64O63S6/c1-20-96(9)153-190(319)247-123(67-108-52-54-111(279)55-53-108)175(304)245-127(72-145(211)282)180(309)263-159(104(17)276)196(325)256-139-91-336-333-88-136(255-192(321)154(97(10)21-2)261-188(317)141-50-38-62-267(141)199(328)119(49-37-61-221-204(216)217)239-181(310)133(85-272)233-148(285)78-224-146(283)76-223-147(284)77-225-165(294)122(66-107-40-25-24-26-41-107)242-170(299)118(237-185(139)314)48-36-60-220-203(214)215)183(312)230-100(13)163(292)240-120(64-94(5)6)173(302)241-121(65-95(7)8)174(303)250-130(82-269)166(295)227-80-150(287)234-135-87-332-337-92-140(200(329)268-63-39-51-142(268)189(318)264-160(105(18)277)197(326)266-161(106(19)278)198(327)265-158(103(16)275)194(323)231-101(14)162(291)235-117(47-35-59-219-202(212)213)169(298)243-126(71-144(210)281)179(308)260-153)257-187(316)138(254-182(311)134(86-273)249-164(293)113(208)43-29-32-56-205)90-335-334-89-137(253-171(300)115(45-30-33-57-206)238-195(324)157(102(15)274)258-151(288)81-228-168(297)132(84-271)252-191(320)155(98(11)22-3)262-193(322)156(99(12)23-4)259-172(301)116(236-184(135)313)46-31-34-58-207)186(315)246-128(73-152(289)290)178(307)251-131(83-270)167(296)226-79-149(286)232-124(68-109-74-222-114-44-28-27-42-112(109)114)176(305)244-125(70-143(209)280)177(306)248-129(201(330)331)69-110-75-218-93-229-110/h24-28,40-42,44,52-55,74-75,93-106,113,115-142,153-161,222,269-279H,20-23,29-39,43,45-51,56-73,76-92,205-208H2,1-19H3,(H2,209,280)(H2,210,281)(H2,211,282)(H,218,229)(H,223,284)(H,224,283)(H,225,294)(H,226,296)(H,227,295)(H,228,297)(H,230,312)(H,231,323)(H,232,286)(H,233,285)(H,234,287)(H,235,291)(H,236,313)(H,237,314)(H,238,324)(H,239,310)(H,240,292)(H,241,302)(H,242,299)(H,243,298)(H,244,305)(H,245,304)(H,246,315)(H,247,319)(H,248,306)(H,249,293)(H,250,303)(H,251,307)(H,252,320)(H,253,300)(H,254,311)(H,255,321)(H,256,325)(H,257,316)(H,258,288)(H,259,301)(H,260,308)(H,261,317)(H,262,322)(H,263,309)(H,264,318)(H,265,327)(H,266,326)(H,289,290)(H,330,331)(H4,212,213,219)(H4,214,215,220)(H4,216,217,221)/t96-,97-,98-,99-,100-,101-,102+,103+,104+,105+,106+,113-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,153-,154-,155-,156-,157-,158-,159-,160-,161-/m0/s1

InChIKey

WPRNWBUVGKWTNS-TYTKTJGNSA-N