Polyphyllin VI

CAS Registry Number®

55916-51-3

CAS Name

Polyphyllin VI

Molecular Formula

C39H62O13

Molecular Mass

738.90

Cite this Page

Polyphyllin VI.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55916-51-3 (retrieved 2024-11-22) (CAS RN: 55916-51-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H62O13/c1-18-8-13-38(47-17-18)20(3)39(46)27(52-38)15-25-23-7-6-21-14-22(9-11-36(21,4)24(23)10-12-37(25,39)5)49-35-33(31(44)29(42)26(16-40)50-35)51-34-32(45)30(43)28(41)19(2)48-34/h6,18-20,22-35,40-46H,7-17H2,1-5H3/t18-,19+,20-,22+,23-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-,36+,37+,38-,39-/m1/s1

InChIKey

InChIKey=WHWWQGPCTUQCMN-JDDKMXSSSA-N

SMILES

O[C@@]12[C@]3(C)[C@@](C[C@@]1(O[C@@]4([C@H]2C)CC[C@@H](C)CO4)[H])([C@]5([C@](CC3)([C@]6(C)C(=CC5)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](O)[C@@H](CO)O7)CC6)[H])[H])[H]

Canonical SMILES

OCC1OC(OC2CC3=CCC4C(CCC5(C)C4CC6OC7(OCC(C)CC7)C(C)C65O)C3(C)CC2)C(OC8OC(C)C(O)C(O)C8O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,25R)-17-hydroxyspirost-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-
  • (3β,25R)-17-Hydroxyspirost-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
  • Pennogenin 3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside
  • Polygonatoside B3
  • Polyphyllin VI

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Deleted or Replaced CAS Registry Numbers

109275-92-5, 117605-79-5, 84914-57-8

CAS INSIGHTSTM
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