(3β,16β,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-6-O-acetyl-β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranoside

CAS Registry Number®

194737-13-8
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CAS Name

(3β,16β,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-6-O-acetyl-β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranoside

Molecular Formula

C54H86O22

Molecular Mass

1087.25

Cite this Page

(3β,16β,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-6-O-acetyl-β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=194737-13-8 (retrieved 2024-09-21) (CAS RN: 194737-13-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H86O22/c1-23(2)16-26-17-52(9,65)44-27-10-11-32-50(7)14-13-33(49(5,6)31(50)12-15-51(32,8)53(27)21-54(44,76-26)69-22-53)72-47-43(75-46-40(64)37(61)34(58)24(3)70-46)41(29(57)19-68-47)73-48-42(74-45-39(63)35(59)28(56)18-67-45)38(62)36(60)30(71-48)20-66-25(4)55/h16,24,26-48,56-65H,10-15,17-22H2,1-9H3/t24-,26-,27+,28+,29-,30+,31-,32+,33-,34-,35-,36+,37+,38-,39+,40+,41-,42+,43+,44-,45-,46-,47-,48-,50-,51+,52-,53-,54-/m0/s1

InChIKey

InChIKey=JCNHTOHJIDUGID-MDSFCDLTSA-N

SMILES

C[C@]12[C@@]34[C@@]([C@@]5([C@@](C3)(OC4)O[C@@H](C=C(C)C)C[C@]5(C)O)[H])(CC[C@@]1([C@]6(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@@H](O[C@H]9[C@H](O[C@H]%10[C@H](O)[C@@H](O)[C@H](O)CO%10)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O9)[C@@H](O)CO7)CC6)[H])[H])[H]

Canonical SMILES

O=C(OCC1OC(OC2C(O)COC(OC3CCC4(C)C(CCC5(C)C4CCC6C7C(O)(C)CC(OC87OCC65C8)C=C(C)C)C3(C)C)C2OC9OC(C)C(O)C(O)C9O)C(OC%10OCC(O)C(O)C%10O)C(O)C1O)C

Other Names for this Substance

  • α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-6-O-acetyl-β-D-glucopyranosyl-(1→3)]-
  • (3β,16β,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-6-O-acetyl-β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranoside