(3β,16α)-3-[(O-β-D-Glucopyranosyl-(1→3)-O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid

CAS Registry Number®

25480-74-4

CAS Name

(3β,16α)-3-[(O-β-D-Glucopyranosyl-(1→3)-O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid

Molecular Formula

C51H82O21

Molecular Mass

1031.18

Cite this Page

(3β,16α)-3-[(O-β-D-Glucopyranosyl-(1→3)-O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25480-74-4 (retrieved 2024-11-24) (CAS RN: 25480-74-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    215-220 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C51H82O21/c1-46(2)14-15-51(45(63)64)23(16-46)22-8-9-29-48(5)12-11-31(47(3,4)28(48)10-13-49(29,6)50(22,7)17-30(51)56)69-43-39(32(57)24(53)19-66-43)72-44-40(33(58)25(54)20-67-44)71-41-37(62)38(26(55)21-65-41)70-42-36(61)35(60)34(59)27(18-52)68-42/h8,23-44,52-62H,9-21H2,1-7H3,(H,63,64)

InChIKey

InChIKey=ZMEIKTTXONUYNX-UHFFFAOYSA-N

SMILES

CC12C3(C)C(C4(C)C(CC3)C(C)(C)C(OC5C(OC6C(OC7C(O)C(OC8OC(CO)C(O)C(O)C8O)C(O)CO7)C(O)C(O)CO6)C(O)C(O)CO5)CC4)CC=C1C9C(C(O)=O)(C(O)C2)CCC(C)(C)C9

Canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC7OCC(O)C(O)C7OC8OCC(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C(C)(C)C5CCC4(C)C3(C)CC1O

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→3)-O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-16-hydroxy-, (3β,16α)-
  • Musennin
  • (3β,16α)-3-[(O-β-D-Glucopyranosyl-(1→3)-O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid
  • NSC 106554

Deleted or Replaced CAS Registry Numbers

1392-56-9, 27013-92-9

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