Tomatoside A

CAS Registry Number®

75557-22-1

CAS Name

Tomatoside A

Molecular Formula

C51H86O24

Molecular Mass

1083.21

Cite this Page

Tomatoside A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=75557-22-1 (retrieved 2025-02-19) (CAS RN: 75557-22-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C51H86O24/c1-20(19-67-45-40(63)36(59)33(56)28(15-52)69-45)7-12-51(66)21(2)32-27(75-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)68-46-42(65)39(62)43(31(18-55)72-46)73-48-44(38(61)35(58)30(17-54)71-48)74-47-41(64)37(60)34(57)29(16-53)70-47/h20-48,52-66H,5-19H2,1-4H3/t20-,21-,22-,23-,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+/m0/s1

InChIKey

InChIKey=OFEAYOYKIQKFSK-HTILOFEYSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@@](CC3)(C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@H](O)[C@H]5O)CC4)[H])[H])[H])(C[C@]8([C@@]2([C@H](C)[C@](CC[C@@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C)(O)O8)[H])[H])[H]

Canonical SMILES

OCC1OC(OCC(C)CCC2(O)OC3CC4C5CCC6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (3β,5α,22α,25S)-26-(β-D-glucopyranosyloxy)-22-hydroxyfurostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-
  • (3β,5α,22α,25S)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside
  • Tomatoside A
  • Tomatozid
  • 3-O-β-D-Glucopyranosyl-(1→2)-β-D-glucopyranosyl-(1→4)-β-D-galactopyranosyl-(25S)-5α-furostan-3β,22α,26-triol 26-O-β-D-glucopyranoside

Deleted or Replaced CAS Registry Numbers

78149-01-6

CAS INSIGHTSTM
Lithium-ion battery