Polypodoside A

CAS Registry Number®

119784-25-7
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CAS Name

Polypodoside A

Molecular Formula

C45H72O17

Molecular Mass

885.04

Cite this Page

Polypodoside A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=119784-25-7 (retrieved 2024-04-27) (CAS RN: 119784-25-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H72O17/c1-18-7-10-29(59-40(18)62-42-38(55)35(52)32(49)21(4)57-42)19(2)24-8-9-25-23-16-28(47)27-15-22(11-13-45(27,6)26(23)12-14-44(24,25)5)58-43-39(36(53)33(50)30(17-46)60-43)61-41-37(54)34(51)31(48)20(3)56-41/h16,18-22,24-27,29-43,46,48-55H,7-15,17H2,1-6H3/t18-,19-,20-,21-,22-,24+,25-,26-,27+,29+,30+,31-,32-,33+,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44+,45+/m0/s1

InChIKey

InChIKey=OFFJUHSISSNBNT-AXTXCYDQSA-N

SMILES

C[C@@]12[C@](C=3[C@@]([C@]4(C)[C@@](C(=O)C3)(C[C@@H](O[C@H]5[C@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@@H](O)[C@H](O)[C@@H](CO)O5)CC4)[H])(CC1)[H])(CC[C@@]2([C@H](C)[C@@]7(O[C@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@@H](C)CC7)[H])[H])[H]

Canonical SMILES

O=C1C=C2C3CCC(C(C)C4OC(OC5OC(C)C(O)C(O)C5O)C(C)CC4)C3(C)CCC2C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC8OC(C)C(O)C(O)C8O)CC16

Other Names for this Substance

  • Cholest-7-en-6-one, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-26-[(6-deoxy-α-L-mannopyranosyl)oxy]-22,26-epoxy-, (3β,5α,22R,25S,26R)-
  • (3β,5α,22R,25S,26R)-3-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-26-[(6-deoxy-α-L-mannopyranosyl)oxy]-22,26-epoxycholest-7-en-6-one
  • Polypodoside A

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