Graecunin E

CAS Registry Number®

74350-30-4
No image available.

CAS Name

Graecunin E

Molecular Formula

C51H82O22

Molecular Mass

1047.18

Cite this Page

Graecunin E.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74350-30-4 (retrieved 2024-09-20) (CAS RN: 74350-30-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C51H82O22/c1-20-8-13-51(65-18-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)67-45-40(61)37(58)35(56)31(70-45)19-64-48-44(38(59)33(54)22(3)66-48)72-47-42(63)39(60)43(30(17-53)69-47)71-46-41(62)36(57)34(55)29(16-52)68-46/h6,20-22,24-48,52-63H,7-19H2,1-5H3/t20-,21+,22+,24+,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+,50+,51-/m1/s1

InChIKey

InChIKey=QBFOXISCLSPTBT-AZBFSILDSA-N

SMILES

C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2)([C@]5(C)C(=CC4)C[C@@H](O[C@H]6O[C@H](CO[C@H]7[C@H](O[C@H]8O[C@H](CO)[C@@H](O[C@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@@H](O)[C@H](O)[C@H]6O)CC5)[H])[H])[H])(O[C@@]%10([C@H]3C)CC[C@@H](C)CO%10)[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC2CO)OC3C(O)C(O)C(OC3OCC4OC(OC5CC6=CCC7C(CCC8(C)C7CC9OC%10(OCC(C)CC%10)C(C)C98)C6(C)CC5)C(O)C(O)C4O)C)C(O)C(O)C1O

Other Names for this Substance

  • α-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→2)-O-6-deoxy-α-L-mannopyranosyl-(1→6)-
  • (3β,25R)-Spirost-5-en-3-yl O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→2)-O-6-deoxy-α-L-mannopyranosyl-(1→6)-α-D-glucopyranoside
  • Graecunin E