Senegin IV

CAS Registry Number®

51005-46-0

CAS Name

Senegin IV

Molecular Formula

C81H122O39

Molecular Mass

1719.81

Cite this Page

Senegin IV.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51005-46-0 (retrieved 2024-12-18) (CAS RN: 51005-46-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C81H122O39/c1-31-46(87)51(92)56(97)68(107-31)116-63-60(101)72(109-33(3)61(63)115-67-55(96)50(91)42(29-106-67)113-70-58(99)53(94)48(89)40(27-82)111-70)118-65-64(117-69-57(98)52(93)47(88)32(2)108-69)62(114-45(86)18-13-35-11-14-36(105-10)15-12-35)34(4)110-73(65)120-75(104)80-22-21-76(5,6)25-38(80)37-16-17-43-77(7)26-39(85)66(119-71-59(100)54(95)49(90)41(28-83)112-71)79(9,74(102)103)44(77)19-20-78(43,8)81(37,30-84)24-23-80/h11-16,18,31-34,38-44,46-73,82-85,87-101H,17,19-30H2,1-10H3,(H,102,103)

InChIKey

InChIKey=ARSZFSLDAVWWJY-UHFFFAOYSA-N

SMILES

C(O)C12C3(C)C(C4(C)C(CC3)C(C(O)=O)(C)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4)CC=C1C6C(C(OC7C(OC8C(O)C(OC9C(O)C(O)C(O)C(C)O9)C(OC%10C(O)C(O)C(OC%11OC(CO)C(O)C(O)C%11O)CO%10)C(C)O8)C(OC%12C(O)C(O)C(O)C(C)O%12)C(OC(C=CC%13=CC=C(OC)C=C%13)=O)C(C)O7)=O)(CC2)CCC(C)(C)C6

Canonical SMILES

O=C(O)C1(C)C(OC2OC(CO)C(O)C(O)C2O)C(O)CC3(C)C4CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(C)C(OC(=O)C=CC8=CC=C(OC)C=C8)C(OC9OC(C)C(O)C(O)C9O)C7OC%10OC(C)C(OC%11OCC(OC%12OC(CO)C(O)C(O)C%12O)C(O)C%11O)C(OC%13OC(C)C(O)C(O)C%13O)C%10O)CCC5(CO)C4(C)CCC13

Other Names for this Substance

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

View All

Deleted or Replaced CAS Registry Numbers

11076-99-6, 53093-46-2

CAS INSIGHTSTM
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