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

CAS Registry Number®

168324-01-4
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CAS Name

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

Molecular Formula

C63H102O30

Molecular Mass

1339.47

Cite this Page

Olean-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-16-hydroxy-, O-β-D-glucopyranosyl-(1→3)-O-[O-β-D-xylopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→2)]-α-L-arabinopyranosyl ester, (3β,16α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=168324-01-4 (retrieved 2024-09-20) (CAS RN: 168324-01-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C63H102O30/c1-24-47(89-52-46(80)48(28(67)22-83-52)90-51-42(76)36(70)27(66)21-82-51)41(75)45(79)53(85-24)92-50-49(91-55-44(78)40(74)38(72)31(20-65)87-55)29(68)23-84-56(50)93-57(81)63-16-15-58(2,3)17-26(63)25-9-10-33-60(6)13-12-35(88-54-43(77)39(73)37(71)30(19-64)86-54)59(4,5)32(60)11-14-61(33,7)62(25,8)18-34(63)69/h9,24,26-56,64-80H,10-23H2,1-8H3/t24-,26-,27+,28+,29-,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,50+,51-,52-,53-,54-,55-,56-,60-,61+,62+,63+/m0/s1

InChIKey

InChIKey=VXYPUHHQOBARSV-PYJOSUHZSA-N

SMILES

C(O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@H](O)CO3)[C@H](C)O2)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)CO1)(=O)[C@]67[C@](C=8[C@@](C)(C[C@H]6O)[C@@]9(C)[C@](CC8)([C@]%10(C)[C@@](CC9)(C(C)(C)[C@@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)CC%10)[H])[H])(CC(C)(C)CC7)[H]

Canonical SMILES

O=C(OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(O)C3O)C67CCC(C)(C)CC7C8=CCC9C%10(C)CCC(OC%11OC(CO)C(O)C(O)C%11O)C(C)(C)C%10CCC9(C)C8(C)CC6O

Other Names for this Substance

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