Olean-12-en-28-oic acid, 2,3,6,23-tetrahydroxy-, 2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl ester, (2β,3β,4α,6β)-

CAS Registry Number®

58019-21-9
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CAS Name

Olean-12-en-28-oic acid, 2,3,6,23-tetrahydroxy-, 2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl ester, (2β,3β,4α,6β)-

Molecular Formula

C41H66O14

Molecular Mass

782.95

Cite this Page

Olean-12-en-28-oic acid, 2,3,6,23-tetrahydroxy-, 2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl ester, (2β,3β,4α,6β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58019-21-9 (retrieved 2024-09-20) (CAS RN: 58019-21-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    230-232 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C41H66O14/c1-19-26(46)28(48)29(49)33(53-19)54-30-27(47)24(45)17-52-34(30)55-35(51)41-12-10-36(2,3)14-21(41)20-8-9-25-37(4)15-23(44)32(50)38(5,18-42)31(37)22(43)16-40(25,7)39(20,6)11-13-41/h8,19,21-34,42-50H,9-18H2,1-7H3/t19-,21-,22+,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,34-,37+,38-,39+,40+,41-/m0/s1

InChIKey

InChIKey=XOBTZVANUMVPCS-GZDAOABPSA-N

SMILES

C(O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@@H](O)[C@@H](O)CO1)(=O)[C@]34[C@](C=5[C@@](C)(CC3)[C@@]6(C)[C@](CC5)([C@]7(C)[C@@]([C@H](O)C6)([C@@](CO)(C)[C@@H](O)[C@@H](O)C7)[H])[H])(CC(C)(C)CC4)[H]

Canonical SMILES

O=C(OC1OCC(O)C(O)C1OC2OC(C)C(O)C(O)C2O)C34CCC(C)(C)CC4C5=CCC6C7(C)CC(O)C(O)C(C)(CO)C7C(O)CC6(C)C5(C)CC3

Other Names for this Substance

  • Olean-12-en-28-oic acid, 2,3,6,23-tetrahydroxy-, 2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl ester, (2β,3β,4α,6β)-
  • Madlongiside D