Polypodoside B

CAS Registry Number®

120015-16-9

CAS Name

Polypodoside B

Molecular Formula

C39H62O13

Molecular Mass

738.90

Cite this Page

Polypodoside B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=120015-16-9 (retrieved 2024-11-30) (CAS RN: 120015-16-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H62O13/c1-17-6-9-27(50-35(17)52-36-33(46)31(44)29(42)19(3)48-36)18(2)22-7-8-23-21-15-26(41)25-14-20(10-12-39(25,5)24(21)11-13-38(22,23)4)49-37-34(47)32(45)30(43)28(16-40)51-37/h15,17-20,22-25,27-37,40,42-47H,6-14,16H2,1-5H3

InChIKey

InChIKey=DMRIOWKDQLGGAP-UHFFFAOYSA-N

SMILES

CC12C(C=3C(C4(C)C(C(=O)C3)CC(OC5OC(CO)C(O)C(O)C5O)CC4)CC1)CCC2C(C)C6OC(OC7C(O)C(O)C(O)C(C)O7)C(C)CC6

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)C7O)CC16

Other Names for this Substance

  • Cholest-7-en-6-one, 26-[(6-deoxy-α-L-mannopyranosyl)oxy]-22,26-epoxy-3-(β-D-glucopyranosyloxy)-, (3β,5α,22S,25R,26S)-
  • (3β,5α,22S,25R,26S)-26-[(6-Deoxy-α-L-mannopyranosyl)oxy]-22,26-epoxy-3-(β-D-glucopyranosyloxy)cholest-7-en-6-one
  • Polypodoside B

CAS INSIGHTSTM
Hourglass and a clock