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Substance Name: Schimawalin B
RN: 138614-71-8
InChIKey: DLUUWUXPYGQUJI-UHFFFAOYSA-N

Molecular Formula

  • C75-H52-O48

Molecular Weight

  • 1721.1878
 
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Names and Synonyms

Synonym

  • Schimawalin B

Systematic Name

  • Schimawalin B

Registry Numbers

CAS Registry Number

  • 138614-71-8

System Generated Number

  • 0138614718

Structure Descriptors

InChI

1S/C75H52O48/c76-13-35(88)51(97)60(116-66(104)16-1-25(78)44(90)26(79)2-16)39(14-77)115-72(110)23-9-32(85)48(94)56(102)58(23)113-37-11-21-41(55(101)52(37)98)40-19(7-31(84)47(93)54(40)100)36(89)15-112-74-64(121-70(21)108)63(119-67(105)17-3-27(80)45(91)28(81)4-17)65(120-68(106)18-5-29(82)46(92)30(83)6-18)75(123-74)122-73(111)24-10-33(86)49(95)57(103)59(24)114-38-12-22-43-42-20(69(107)118-62(43)53(38)99)8-34(87)50(96)61(42)117-71(22)109/h1-12,14,35,39,51,60,63-65,74-76,78-88,90-103H,13,15H2

InChIKey

DLUUWUXPYGQUJI-UHFFFAOYSA-N

Smiles

c1c(cc(c(c1O)O)O)C(=O)OC2C3C(OCC(=O)c4cc(c(c(c4-c5c(cc(c(c5O)O)Oc6c(cc(c(c6O)O)O)C(=O)OC(C=O)C(C(C(CO)O)O)OC(=O)c7cc(c(c(c7)O)O)O)C(=O)O3)O)O)O)OC(C2OC(=O)c8cc(c(c(c8)O)O)O)OC(=O)c9cc(c(c(c9Oc1cc2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c1O)O)O)O