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Substance Name: Euphorbin D
RN: 128338-77-2
InChIKey: IWQMOXUVJMFHQV-OFLZJBCMSA-N

Molecular Formula

  • C82-H56-O53

Molecular Weight

  • 3778.5828
 
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Names and Synonyms

Synonym

  • Euphorbin D

Systematic Name

  • Euphorbin D

Registry Numbers

CAS Registry Number

  • 128338-77-2

System Generated Number

  • 0128338772

Structure Descriptors

InChI

1S/2C82H56O53/c83-27-1-17(2-28(84)47(27)96)69(108)121-15-40-62(127-70(109)18-3-29(85)48(97)30(86)4-18)65(129-71(110)19-5-31(87)49(98)32(88)6-19)67-80(125-40)134-78(117)26-12-37(93)53(102)58(107)60(26)126-61-39(123-59-25(77(116)132-67)11-36(92)52(101)57(59)106)13-23-44(56(61)105)43-21(9-35(91)51(100)55(43)104)74(113)130-66-63-41(16-122-73(23)112)124-79(133-72(111)20-7-33(89)50(99)34(90)8-20)68(66)131-75(114)22-10-38(94)54(103)64-45(22)46-24(76(115)128-63)14-42(95)82(120,135-64)81(46,118)119;83-27-1-17(2-28(84)47(27)96)69(108)121-15-40-62(127-70(109)18-3-29(85)48(97)30(86)4-18)65(129-71(110)19-5-31(87)49(98)32(88)6-19)67-80(125-40)134-78(117)26-12-37(93)53(102)58(107)60(26)126-61-39(123-59-25(77(116)132-67)11-36(92)52(101)57(59)106)13-23-44(56(61)105)43-21(9-35(91)51(100)55(43)104)74(113)130-66-63-41(16-122-73(23)112)124-79(133-72(111)20-7-33(89)50(99)34(90)8-20)68(66)131-75(114)22-10-38(94)54(103)64-45(22)46-24(76(115)128-63)14-42(95)81(118,119)82(46,120)135-64/h2*1-14,40-41,46,62-63,65-68,79-80,83-94,96-107,118-120H,15-16H2/t40?,41?,46-,62?,63?,65?,66?,67?,68?,79?,80?,82-;40?,41?,46-,62?,63?,65?,66?,67?,68?,79?,80?,82+/m00/s1

InChIKey

IWQMOXUVJMFHQV-OFLZJBCMSA-N

Smiles

c1c(cc(c(c1O)O)O)C(=O)OCC2C(C(C3C(O2)OC(=O)c4cc(c(c(c4Oc5c(cc6c(c5O)-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)Oc1c(cc(c(c1O)O)O)C(=O)O3)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(C3C(O2)OC(=O)c4cc(c(c(c4Oc5c(cc6c(c5O)-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)Oc1c(cc(c(c1O)O)O)C(=O)O3)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O