Az IV

CAS Registry Number®

244776-47-4
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CAS Name

Az IV

Molecular Formula

C54H84O22

Molecular Mass

1085.23

Cite this Page

Az IV.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=244776-47-4 (retrieved 2024-09-19) (CAS RN: 244776-47-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H84O22/c1-23-34(59)26(58)17-33(69-23)72-32-19-49(2,3)18-25-24-9-10-30-51(5)13-12-31(52(6,22-57)29(51)11-14-54(30,8)53(24,7)16-15-50(25,32)4)73-48-44(40(65)39(64)42(74-48)45(67)68)76-47-43(38(63)36(61)28(21-56)71-47)75-46-41(66)37(62)35(60)27(20-55)70-46/h9,25,27-33,35-44,46-48,55-57,59-66H,10-22H2,1-8H3,(H,67,68)/t25-,27+,28+,29+,30+,31-,32+,33-,35+,36+,37-,38-,39-,40-,41+,42-,43+,44+,46-,47-,48+,50+,51-,52+,53+,54+/m0/s1

InChIKey

InChIKey=YLBMNMLHAAOXAL-QVAGLGTDSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)([C@](CO)(C)[C@@H](O[C@H]4[C@H](O[C@H]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)CC3)[H])(CC=C7[C@@]2(C)CC[C@]8(C)[C@]7(CC(C)(C)C[C@H]8O[C@H]9CC(=O)C(O)=C(C)O9)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)CC(OC7OC(=C(O)C(=O)C7)C)C6(C)CCC5(C)C4(C)CCC3C2(C)CO)C(OC8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[[(2R)-3,4-dihydro-5-hydroxy-6-methyl-4-oxo-2H-pyran-2-yl]oxy]-23-hydroxyolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→2)-
  • (3β,4β,22β)-22-[[(2R)-3,4-Dihydro-5-hydroxy-6-methyl-4-oxo-2H-pyran-2-yl]oxy]-23-hydroxyolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosiduronic acid
  • Az IV