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Substance Name: Senegin II
RN: 34366-31-9
InChIKey: MNXFXXWQAAMVMW-JUOGNNHRSA-N

Note

  • From seeds of Aralia elata.

Molecular Formula

  • C70-H104-O32

Molecular Weight

  • 1457.5596
 
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Names and Synonyms

  • Senegin II

Registry Numbers

CAS Registry Number

  • 34366-31-9

Other Registry Number

  • 11076-98-5

System Generated Number

  • 0034366319

Structure Descriptors

InChI

1S/C70H104O32/c1-29-54(99-58-49(82)45(78)39(27-92-58)97-60-50(83)46(79)43(76)37(25-71)95-60)48(81)52(85)59(93-29)100-56-53(86)55(98-42(75)15-11-31-10-13-35(90-8)36(22-31)91-9)30(2)94-62(56)102-64(89)69-19-18-65(3,4)23-33(69)32-12-14-40-66(5)24-34(74)57(101-61-51(84)47(80)44(77)38(26-72)96-61)68(7,63(87)88)41(66)16-17-67(40,6)70(32,28-73)21-20-69/h10-13,15,22,29-30,33-34,37-41,43-62,71-74,76-86H,14,16-21,23-28H2,1-9H3,(H,87,88)/b15-11+/t29-,30+,33?,34?,37+,38+,39+,40?,41?,43-,44+,45-,46-,47-,48-,49+,50+,51+,52+,53-,54-,55-,56+,57?,58-,59-,60-,61-,62-,66+,67?,68-,69?,70-/m0/s1

InChIKey

MNXFXXWQAAMVMW-JUOGNNHRSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC(=O)C34CC[C@@]5(C(=CCC6C5(CCC7[C@@]6(CC(C([C@@]7(C)C(=O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)C3CC(CC4)(C)C)CO)C)OC(=O)/C=C/c9ccc(c(c9)OC)OC)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O