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Substance Name: Phillyraeoidin A
RN: 125002-71-3
InChIKey: JINKDBDMNDOXQD-JAYORIQBSA-N

Molecular Weight

  • 1877.32
 
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Names and Synonyms

  • Phillyraeoidin A

Registry Numbers

CAS Registry Number

  • 125002-71-3

System Generated Number

  • 0125002713

Structure Descriptors

InChI

1S/C82H60O52/c83-30-1-20(2-31(84)51(30)99)71(112)122-18-47-66(68(130-73(114)22-5-34(87)53(101)35(88)6-22)70(132-75(116)24-9-38(91)55(103)39(92)10-24)81(125-47)133-76(117)25-11-40(93)56(104)41(94)12-25)128-80(121)29-16-45(98)59(107)63(111)64(29)124-46-17-28-50(62(110)60(46)108)49-27(15-44(97)58(106)61(49)109)79(120)127-65-48(19-123-78(28)119)126-82(134-77(118)26-13-42(95)57(105)43(96)14-26)69(131-74(115)23-7-36(89)54(102)37(90)8-23)67(65)129-72(113)21-3-32(85)52(100)33(86)4-21/h1-17,47-48,65-70,81-111H,18-19H2/t47-,48-,65-,66?,67+,68+,69-,70-,81+,82+/m1/s1

InChIKey

JINKDBDMNDOXQD-JAYORIQBSA-N

Smiles

c1c2C(OC[C@H]3O[C@@H](OC(c4cc(O)c(O)c(O)c4)=O)[C@@H]([C@H](OC(c4cc(c(c(c4)O)O)O)=O)[C@@H]3OC(c3cc(c(c(c3c2c(c(c1Oc1c(cc(c(c1O)O)O)C(O[C@@H]1[C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)=O)O)O)O)O)O)=O)OC(=O)c1cc(c(c(c1)O)O)O)=O