β-D-Glucopyranosiduronic acid, (3β,4α,15α,16α,21β,22α)-15,16,28-trihydroxy-23-methoxy-21,22-bis[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-23-oxoolean-12-en-3-yl 3-O-α-L-arabinopyranosyl-, methyl ester

CAS Registry Number®

288153-01-5

CAS Name

β-D-Glucopyranosiduronic acid, (3β,4α,15α,16α,21β,22α)-15,16,28-trihydroxy-23-methoxy-21,22-bis[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-23-oxoolean-12-en-3-yl 3-O-α-L-arabinopyranosyl-, methyl ester

Molecular Formula

C53H80O20

Molecular Mass

1037.19

Cite this Page

β-D-Glucopyranosiduronic acid, (3β,4α,15α,16α,21β,22α)-15,16,28-trihydroxy-23-methoxy-21,22-bis[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-23-oxoolean-12-en-3-yl 3-O-α-L-arabinopyranosyl-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=288153-01-5 (retrieved 2024-11-05) (CAS RN: 288153-01-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H80O20/c1-13-24(3)42(62)72-40-41(73-43(63)25(4)14-2)53(23-54)27(21-48(40,5)6)26-15-16-29-49(7)19-18-31(51(9,47(65)67-12)30(49)17-20-50(29,8)52(26,10)38(60)39(53)61)69-46-35(59)36(34(58)37(71-46)44(64)66-11)70-45-33(57)32(56)28(55)22-68-45/h13-15,27-41,45-46,54-61H,16-23H2,1-12H3/b24-13-,25-14-/t27-,28-,29+,30+,31-,32-,33+,34-,35+,36-,37-,38-,39+,40-,41-,45-,46+,49+,50+,51-,52-,53-/m0/s1

InChIKey

InChIKey=QCMIZNQBGXTSJB-FAHXWNCJSA-N

SMILES

C(O)[C@]12[C@](C=3[C@@](C)([C@@H](O)[C@H]1O)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@@](C(OC)=O)(C)[C@@H](O[C@H]6[C@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)CO7)[C@H](O)[C@@H](C(OC)=O)O6)CC5)[H])[H])(CC(C)(C)[C@@H](OC(/C(=C\C)/C)=O)[C@@H]2OC(/C(=C\C)/C)=O)[H]

Canonical SMILES

O=C(OC1C(OC(=O)C(=CC)C)C2(CO)C(O)C(O)C3(C(=CCC4C5(C)CCC(OC6OC(C(=O)OC)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(C(=O)OC)(C)C5CCC43C)C2CC1(C)C)C)C(=CC)C

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4α,15α,16α,21β,22α)-15,16,28-trihydroxy-23-methoxy-21,22-bis[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-23-oxoolean-12-en-3-yl 3-O-α-L-arabinopyranosyl-, methyl ester
  • TR-saponin A methyl ester

CAS INSIGHTSTM
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