Olean-12-ene-28,29-dioic acid, 23-(acetyloxy)-3-[(2-O-β-D-galactopyranosyl-β-D-glucopyranuronosyl)oxy]-, 28-(O-2-O-acetyl-6-deoxy-3-O-[(2S)-2-methyl-1-oxobutyl]-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-6-deoxy-4-O-[(2S)-2-methyl-1-oxobutyl]-β-D-galactopyranosyl) 29-methyl ester, (3β,4α,20β)-

CAS Registry Number®

325966-86-7

CAS Name

Olean-12-ene-28,29-dioic acid, 23-(acetyloxy)-3-[(2-O-β-D-galactopyranosyl-β-D-glucopyranuronosyl)oxy]-, 28-(O-2-O-acetyl-6-deoxy-3-O-[(2S)-2-methyl-1-oxobutyl]-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-6-deoxy-4-O-[(2S)-2-methyl-1-oxobutyl]-β-D-galactopyranosyl) 29-methyl ester, (3β,4α,20β)-

Molecular Formula

C75H116O34

Molecular Mass

1561.70

Cite this Page

Olean-12-ene-28,29-dioic acid, 23-(acetyloxy)-3-[(2-O-β-D-galactopyranosyl-β-D-glucopyranuronosyl)oxy]-, 28-(O-2-O-acetyl-6-deoxy-3-O-[(2S)-2-methyl-1-oxobutyl]-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-6-deoxy-4-O-[(2S)-2-methyl-1-oxobutyl]-β-D-galactopyranosyl) 29-methyl ester, (3β,4α,20β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=325966-86-7 (retrieved 2024-11-25) (CAS RN: 325966-86-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C75H116O34/c1-15-31(3)61(91)103-53-34(6)98-67(59(57(53)107-64-52(88)48(84)46(82)40(29-77)101-64)108-66-58(99-36(8)79)54(44(80)33(5)97-66)104-62(92)32(4)16-2)109-69(94)75-25-23-70(9,68(93)95-14)27-38(75)37-17-18-42-71(10)21-20-43(72(11,30-96-35(7)78)41(71)19-22-74(42,13)73(37,12)24-26-75)102-65-56(50(86)49(85)55(105-65)60(89)90)106-63-51(87)47(83)45(81)39(28-76)100-63/h17,31-34,38-59,63-67,76-77,80-88H,15-16,18-30H2,1-14H3,(H,89,90)/t31-,32-,33-,34+,38-,39+,40+,41+,42+,43-,44-,45-,46+,47-,48-,49-,50-,51+,52+,53-,54+,55-,56+,57-,58+,59+,63-,64-,65+,66-,67-,70-,71-,72-,73+,74+,75-/m0/s1

InChIKey

InChIKey=CRFMJTZRXVWVJF-ZDJMICTBSA-N

SMILES

C(O[C@H]1[C@H](O[C@H]2[C@H](OC(C)=O)[C@H](OC([C@H](CC)C)=O)[C@@H](O)[C@H](C)O2)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC([C@H](CC)C)=O)[C@@H](C)O1)(=O)[C@]45[C@](C=6[C@@](C)(CC4)[C@@]7(C)[C@](CC6)([C@]8(C)[C@@](CC7)([C@@](COC(C)=O)(C)[C@@H](O[C@H]9[C@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O9)CC8)[H])[H])(C[C@](C(OC)=O)(C)CC5)[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C(=O)OC)(C)CCC6(C(=O)OC7OC(C)C(OC(=O)C(C)CC)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OC(C)C(O)C(OC(=O)C(C)CC)C9OC(=O)C)CCC5(C)C4(C)CCC3C2(C)COC(=O)C)C(OC%10OC(CO)C(O)C(O)C%10O)C(O)C1O

Other Names for this Substance

  • Olean-12-ene-28,29-dioic acid, 23-(acetyloxy)-3-[(2-O-β-D-galactopyranosyl-β-D-glucopyranuronosyl)oxy]-, 28-(O-2-O-acetyl-6-deoxy-3-O-[(2S)-2-methyl-1-oxobutyl]-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-6-deoxy-4-O-[(2S)-2-methyl-1-oxobutyl]-β-D-galactopyranosyl) 29-methyl ester, (3β,4α,20β)-

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