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Substance Name: Euphorbin B (a form)
RN: 118102-87-7
InChIKey: PXEQCIIWXBKHBL-JQGNCYFPSA-N

Molecular Formula

  • C82-H58-O53

Molecular Weight

  • 3782.6144
 
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Names and Synonyms

Results Name

  • Euphorbin B (a form)

Synonym

  • Euphorbin B

Registry Numbers

CAS Registry Number

  • 118102-87-7

System Generated Number

  • 0118102877

Structure Descriptors

InChI

1S/2C82H58O53/c83-28-1-18(2-29(84)49(28)97)69(109)122-16-42-62(127-70(110)19-3-30(85)50(98)31(86)4-19)65(129-71(111)20-5-32(87)51(99)33(88)6-20)67(79(125-42)133-72(112)21-7-34(89)52(100)35(90)8-21)132-78(118)27-13-39(94)55(103)60(108)61(27)124-41-14-25-46(59(107)57(41)105)45-23(11-38(93)54(102)58(45)106)75(115)130-66-63-43(17-123-74(25)114)126-80(134-73(113)22-9-36(91)53(101)37(92)10-22)68(66)131-76(116)24-12-40(95)56(104)64-47(24)48-26(77(117)128-63)15-44(96)82(121,135-64)81(48,119)120;83-28-1-18(2-29(84)49(28)97)69(109)122-16-42-62(127-70(110)19-3-30(85)50(98)31(86)4-19)65(129-71(111)20-5-32(87)51(99)33(88)6-20)67(79(125-42)133-72(112)21-7-34(89)52(100)35(90)8-21)132-78(118)27-13-39(94)55(103)60(108)61(27)124-41-14-25-46(59(107)57(41)105)45-23(11-38(93)54(102)58(45)106)75(115)130-66-63-43(17-123-74(25)114)126-80(134-73(113)22-9-36(91)53(101)37(92)10-22)68(66)131-76(116)24-12-40(95)56(104)64-47(24)48-26(77(117)128-63)15-44(96)81(119,120)82(48,121)135-64/h2*1-15,42-43,48,62-63,65-68,79-80,83-95,97-108,119-121H,16-17H2/t42?,43?,48-,62?,63?,65?,66?,67?,68?,79?,80?,82-;42?,43?,48-,62?,63?,65?,66?,67?,68?,79?,80?,82+/m00/s1

InChIKey

PXEQCIIWXBKHBL-JQGNCYFPSA-N

Smiles

c1c(cc(c(c1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4Oc5cc6c(c(c5O)O)-c7c(cc(c(c7O)O)O)C(=O)OC8C9C(COC6=O)OC(C8OC(=O)c1cc(c(c2c1[C@@H]1C(=CC(=O)C([C@@]1(O2)O)(O)O)C(=O)O9)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O.c1c(cc(c(c1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4Oc5cc6c(c(c5O)O)-c7c(cc(c(c7O)O)O)C(=O)OC8C9C(COC6=O)OC(C8OC(=O)c1cc(c(c2c1[C@@H]1C(=CC(=O)[C@@](C1(O)O)(O2)O)C(=O)O9)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O