Polygalacin D

CAS Registry Number®

66663-91-0

CAS Name

Polygalacin D

Molecular Formula

C57H92O27

Molecular Mass

1209.32

Cite this Page

Polygalacin D.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=66663-91-0 (retrieved 2024-10-05) (CAS RN: 66663-91-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C57H92O27/c1-23-40(80-45-39(71)41(28(63)19-75-45)81-49-43(72)56(74,21-60)22-77-49)36(68)38(70)46(78-23)82-42-33(65)27(62)18-76-48(42)84-50(73)57-13-12-51(2,3)14-25(57)24-8-9-31-52(4)15-26(61)44(83-47-37(69)35(67)34(66)29(17-58)79-47)53(5,20-59)30(52)10-11-54(31,6)55(24,7)16-32(57)64/h8,23,25-49,58-72,74H,9-22H2,1-7H3/t23-,25-,26-,27-,28+,29+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39+,40-,41-,42+,43-,44-,45-,46-,47-,48-,49-,52-,53+,54+,55+,56+,57+/m0/s1

InChIKey

InChIKey=BDCUGHMNUOTFKX-DDRWPPTGSA-N

SMILES

C(O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@](CO)(O)CO4)[C@H](O)CO3)[C@H](C)O2)[C@@H](O)[C@@H](O)CO1)(=O)[C@]56[C@](C=7[C@@](C)(C[C@H]5O)[C@@]8(C)[C@](CC7)([C@]9(C)[C@@](CC8)([C@](CO)(C)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)C9)[H])[H])(CC(C)(C)CC6)[H]

Canonical SMILES

O=C(OC1OCC(O)C(O)C1OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)(CO)C4O)C3O)C(O)C2O)C56CCC(C)(C)CC6C7=CCC8C9(C)CC(O)C(OC%10OC(CO)C(O)C(O)C%10O)C(C)(CO)C9CCC8(C)C7(C)CC5O

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-2,16,23-trihydroxy-, O-D-apio-β-D-furanosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl ester, (2β,3β,4β,16α)-
  • Polygalacin D

CAS INSIGHTSTM
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