Senegin II

CAS Registry Number®

34366-31-9

CAS Name

Senegin II

Molecular Formula

C70H104O32

Molecular Mass

1457.56

Cite this Page

Senegin II.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=34366-31-9 (retrieved 2024-11-25) (CAS RN: 34366-31-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=MNXFXXWQAAMVMW-JEIATDTDSA-N

SMILES

C(O)[C@]12[C@@]3(C)[C@@]([C@]4(C)[C@@](CC3)([C@@](C(O)=O)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C4)[H])(CC=C1[C@]6([C@@](C(O[C@H]7[C@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)CO9)[C@H](C)O8)[C@@H](O)[C@@H](OC(/C=C/C%11=CC(OC)=C(OC)C=C%11)=O)[C@@H](C)O7)=O)(CC2)CCC(C)(C)C6)[H])[H]

Canonical SMILES

O=C(O)C1(C)C(OC2OC(CO)C(O)C(O)C2O)C(O)CC3(C)C1CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(C)C(OC(=O)C=CC8=CC=C(OC)C(OC)=C8)C(O)C7OC9OC(C)C(OC%10OCC(OC%11OC(CO)C(O)C(O)C%11O)C(O)C%10O)C(O)C9O)CCC54CO

Other Names for this Substance

  • Olean-12-ene-23,28-dioic acid, 3-(β-D-glucopyranosyloxy)-2,27-dihydroxy-, 28-[O-β-D-galactopyranosyl-(1→4)-O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-4-O-[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-galactopyranosyl] ester, (2β,3β,4α)-
  • Senegin II
  • Olean-12-ene-23,28-dioic acid, 3-(β-D-glucopyranosyloxy)-2,27-dihydroxy-, 28-[O-β-D-galactopyranosyl-(1→4)-O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-4-O-[3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-galactopyranosyl] ester, [2β,3β,4α,28(E)]-
  • Olean-12-ene-23,28-dioic acid, 3-(β-D-glucopyranosyloxy)-2,27-dihydroxy-, 28-[O-β-D-galactopyranosyl-(1→4)-O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-4-O-[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-galactopyranosyl] ester, (2β,3β,4α)-

Deleted or Replaced CAS Registry Numbers

11076-98-5

CAS INSIGHTSTM
Hourglass and a clock