Olean-12-en-28-oic acid, 3-[(O-6-deoxy-L-mannopyranosyl-(1→4)-O-6-deoxy-L-mannopyranosyl-(1→3)-O-[D-xylopyranosyl-(1→6)]-D-glucopyranosyl)oxy]-16-hydroxy-, O-D-glucopyranosyl-(1→4)-O-6-deoxy-L-mannopyranosyl-(1→2)-L-arabinopyranosyl ester, (3β)-

CAS Registry Number®

25503-42-8

CAS Name

Olean-12-en-28-oic acid, 3-[(O-6-deoxy-L-mannopyranosyl-(1→4)-O-6-deoxy-L-mannopyranosyl-(1→3)-O-[D-xylopyranosyl-(1→6)]-D-glucopyranosyl)oxy]-16-hydroxy-, O-D-glucopyranosyl-(1→4)-O-6-deoxy-L-mannopyranosyl-(1→2)-L-arabinopyranosyl ester, (3β)-

Molecular Formula

C70H114O34

Molecular Mass

1499.63

Cite this Page

Olean-12-en-28-oic acid, 3-[(O-6-deoxy-L-mannopyranosyl-(1→4)-O-6-deoxy-L-mannopyranosyl-(1→3)-O-[D-xylopyranosyl-(1→6)]-D-glucopyranosyl)oxy]-16-hydroxy-, O-D-glucopyranosyl-(1→4)-O-6-deoxy-L-mannopyranosyl-(1→2)-L-arabinopyranosyl ester, (3β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25503-42-8 (retrieved 2024-11-24) (CAS RN: 25503-42-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    215-217 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C70H114O34/c1-25-38(75)43(80)48(85)58(94-25)100-53-26(2)95-59(50(87)45(53)82)102-55-42(79)33(24-93-57-47(84)39(76)30(72)22-91-57)98-62(52(55)89)99-37-14-15-67(8)34(66(37,6)7)13-16-68(9)35(67)12-11-28-29-19-65(4,5)17-18-70(29,36(74)20-69(28,68)10)64(90)104-63-56(40(77)31(73)23-92-63)103-60-51(88)46(83)54(27(3)96-60)101-61-49(86)44(81)41(78)32(21-71)97-61/h11,25-27,29-63,71-89H,12-24H2,1-10H3

InChIKey

InChIKey=KJOWFPGVPJXPDN-UHFFFAOYSA-N

SMILES

C(OC1C(OC2C(O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(O)C(O)CO1)(=O)C45C(C=6C(C)(CC4O)C7(C)C(CC6)C8(C)C(CC7)C(C)(C)C(OC9C(O)C(OC%10C(O)C(O)C(OC%11C(O)C(O)C(O)C(C)O%11)C(C)O%10)C(O)C(COC%12C(O)C(O)C(O)CO%12)O9)CC8)CC(C)(C)CC5

Canonical SMILES

O=C(OC1OCC(O)C(O)C1OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C45CCC(C)(C)CC5C6=CCC7C8(C)CCC(OC9OC(COC%10OCC(O)C(O)C%10O)C(O)C(OC%11OC(C)C(OC%12OC(C)C(O)C(O)C%12O)C(O)C%11O)C9O)C(C)(C)C8CCC7(C)C6(C)CC4O

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(O-6-deoxy-L-mannopyranosyl-(1→4)-O-6-deoxy-L-mannopyranosyl-(1→3)-O-[D-xylopyranosyl-(1→6)]-D-glucopyranosyl)oxy]-16-hydroxy-, O-D-glucopyranosyl-(1→4)-O-6-deoxy-L-mannopyranosyl-(1→2)-L-arabinopyranosyl ester, (3β)-
  • Helianthoside C

Deleted or Replaced CAS Registry Numbers

31119-45-6

CAS INSIGHTSTM
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