O-α-L-Arabinofuranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→3)]-O-6-deoxy-α-L-mannopyranosyl-(1→2)-β-D-glucopyranosyl (3β,16α,21β)-3-[(O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-16-hydroxy-21-[[(2E,6S)-6-[[4-O-[(2E)-6-hydroxy-2-(hydroxymethyl)-6-methyl-1-oxo-2,7-octadienyl]-β-D-xylopyranosyl]oxy]-2,6-dimethyl-1-oxo-2,7-octadienyl]oxy]olean-12-en-28-oate

CAS Registry Number®

200127-56-6
No image available.

CAS Name

O-α-L-Arabinofuranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→3)]-O-6-deoxy-α-L-mannopyranosyl-(1→2)-β-D-glucopyranosyl (3β,16α,21β)-3-[(O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-16-hydroxy-21-[[(2E,6S)-6-[[4-O-[(2E)-6-hydroxy-2-(hydroxymethyl)-6-methyl-1-oxo-2,7-octadienyl]-β-D-xylopyranosyl]oxy]-2,6-dimethyl-1-oxo-2,7-octadienyl]oxy]olean-12-en-28-oate

Molecular Formula

C100H158O50

Molecular Mass

2160.29

Cite this Page

O-α-L-Arabinofuranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→3)]-O-6-deoxy-α-L-mannopyranosyl-(1→2)-β-D-glucopyranosyl (3β,16α,21β)-3-[(O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-16-hydroxy-21-[[(2E,6S)-6-[[4-O-[(2E)-6-hydroxy-2-(hydroxymethyl)-6-methyl-1-oxo-2,7-octadienyl]-β-D-xylopyranosyl]oxy]-2,6-dimethyl-1-oxo-2,7-octadienyl]oxy]olean-12-en-28-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=200127-56-6 (retrieved 2024-09-19) (CAS RN: 200127-56-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    222-224 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C100H158O50/c1-14-95(9,130)24-17-19-42(31-101)82(128)136-51-38-133-84(71(122)65(51)116)150-96(10,15-2)25-16-18-40(3)81(127)142-57-30-100(92(129)149-91-80(68(119)62(113)49(34-104)140-91)148-88-75(126)77(145-86-73(124)66(117)60(111)47(32-102)137-86)76(41(4)135-88)144-85-72(123)63(114)50(35-105)139-85)44(28-93(57,5)6)43-20-21-54-97(11)26-23-56(94(7,8)53(97)22-27-98(54,12)99(43,13)29-55(100)108)143-90-79(147-87-74(125)67(118)61(112)48(33-103)138-87)69(120)64(115)52(141-90)39-134-89-78(59(110)46(107)37-132-89)146-83-70(121)58(109)45(106)36-131-83/h14-15,18-20,41,44-80,83-91,101-126,130H,1-2,16-17,21-39H2,3-13H3/b40-18+,42-19+/t41-,44-,45-,46-,47+,48+,49+,50-,51+,52+,53-,54+,55+,56-,57-,58-,59-,60+,61+,62+,63-,64+,65-,66-,67-,68-,69-,70+,71+,72+,73+,74+,75+,76-,77-,78+,79+,80+,83-,84-,85-,86-,87-,88-,89-,90-,91-,95?,96+,97-,98+,99+,100+/m0/s1

InChIKey

InChIKey=SWRVCGUOVCDLNV-HPYJBZHZSA-N

SMILES

C(O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@H](C)O2)[C@@H](O)[C@H](O)[C@@H](CO)O1)(=O)[C@]56[C@](C=7[C@@](C)(C[C@H]5O)[C@@]8(C)[C@](CC7)([C@]9(C)[C@@](CC8)(C(C)(C)[C@@H](O[C@H]%10[C@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]%12[C@H](O[C@H]%13[C@H](O)[C@@H](O)[C@@H](O)CO%13)[C@@H](O)[C@@H](O)CO%12)O%10)CC9)[H])[H])(CC(C)(C)[C@@H](OC(/C(=C/CC[C@](O[C@H]%14[C@H](O)[C@@H](O)[C@H](OC(/C(=C/CCC(C=C)(C)O)/CO)=O)CO%14)(C=C)C)/C)=O)C6)[H]

Canonical SMILES

O=C(OC1CC2(C(=O)OC3OC(CO)C(O)C(O)C3OC4OC(C)C(OC5OC(CO)C(O)C5O)C(OC6OC(CO)C(O)C(O)C6O)C4O)C(O)CC7(C(=CCC8C9(C)CCC(OC%10OC(COC%11OCC(O)C(O)C%11OC%12OCC(O)C(O)C%12O)C(O)C(O)C%10OC%13OC(CO)C(O)C(O)C%13O)C(C)(C)C9CCC87C)C2CC1(C)C)C)C(=CCCC(OC%14OCC(OC(=O)C(=CCCC(O)(C=C)C)CO)C(O)C%14O)(C=C)C)C

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-16-hydroxy-21-[[(2E,6S)-6-[[4-O-[(2E)-6-hydroxy-2-(hydroxymethyl)-6-methyl-1-oxo-2,7-octadienyl]-β-D-xylopyranosyl]oxy]-2,6-dimethyl-1-oxo-2,7-octadienyl]oxy]-, O-α-L-arabinofuranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→3)]-O-6-deoxy-α-L-mannopyranosyl-(1→2)-β-D-glucopyranosyl ester, (3β,16α,21β)-
  • O-α-L-Arabinofuranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→3)]-O-6-deoxy-α-L-mannopyranosyl-(1→2)-β-D-glucopyranosyl (3β,16α,21β)-3-[(O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-16-hydroxy-21-[[(2E,6S)-6-[[4-O-[(2E)-6-hydroxy-2-(hydroxymethyl)-6-methyl-1-oxo-2,7-octadienyl]-β-D-xylopyranosyl]oxy]-2,6-dimethyl-1-oxo-2,7-octadienyl]oxy]olean-12-en-28-oate
  • Pitheduloside I