Olean-12-ene-23,28-dioic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl)oxy]-2-hydroxy-, 28-β-D-glucopyranosyl ester, (2β,3β,4α)-

CAS Registry Number®

128784-75-8
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CAS Name

Olean-12-ene-23,28-dioic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl)oxy]-2-hydroxy-, 28-β-D-glucopyranosyl ester, (2β,3β,4α)-

Molecular Formula

C60H96O30

Molecular Mass

1297.39

Cite this Page

Olean-12-ene-23,28-dioic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl)oxy]-2-hydroxy-, 28-β-D-glucopyranosyl ester, (2β,3β,4α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=128784-75-8 (retrieved 2024-09-20) (CAS RN: 128784-75-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C60H96O30/c1-22-32(66)37(71)41(75)48(81-22)86-44-36(70)29(21-64)85-52(46(44)88-49-42(76)38(72)33(67)26(18-61)82-49)87-45-40(74)35(69)28(20-63)84-51(45)89-47-25(65)17-56(4)30-9-8-23-24-16-55(2,3)12-14-60(24,54(80)90-50-43(77)39(73)34(68)27(19-62)83-50)15-13-57(23,5)58(30,6)11-10-31(56)59(47,7)53(78)79/h8,22,24-52,61-77H,9-21H2,1-7H3,(H,78,79)

InChIKey

InChIKey=RXOLZUNGPCPEOV-UHFFFAOYSA-N

SMILES

C(OC1OC(CO)C(O)C(O)C1O)(=O)C23C(C=4C(C)(CC2)C5(C)C(CC4)C6(C)C(CC5)C(C(O)=O)(C)C(OC7C(OC8C(OC9OC(CO)C(O)C(O)C9O)C(OC%10C(O)C(O)C(O)C(C)O%10)C(O)C(CO)O8)C(O)C(O)C(CO)O7)C(O)C6)CC(C)(C)CC3

Canonical SMILES

O=C(O)C1(C)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC4OC(C)C(O)C(O)C4O)C3OC5OC(CO)C(O)C(O)C5O)C(O)CC6(C)C7CC=C8C9CC(C)(C)CCC9(C(=O)OC%10OC(CO)C(O)C(O)C%10O)CCC8(C)C7(C)CCC16

Other Names for this Substance

  • Olean-12-ene-23,28-dioic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl)oxy]-2-hydroxy-, 28-β-D-glucopyranosyl ester, (2β,3β,4α)-
  • Medicoside L

Deleted or Replaced CAS Registry Numbers

107232-02-0