β-D-Glucopyranoside, (3β,22β,25S)-spirosol-5-en-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-

CAS Registry Number®

11034-34-7

CAS Name

β-D-Glucopyranoside, (3β,22β,25S)-spirosol-5-en-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-

Molecular Formula

C39H63NO11

Molecular Mass

721.92

Cite this Page

β-D-Glucopyranoside, (3β,22β,25S)-spirosol-5-en-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=11034-34-7 (retrieved 2024-11-22) (CAS RN: 11034-34-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,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-/m0/s1

InChIKey

InChIKey=KRQDMAXNTWLTDZ-LRHBBOIQSA-N

SMILES

C[C@@H]1[C@@]2(O[C@@]3([C@]1([C@]4(C)[C@@](C3)([C@]5([C@](CC4)([C@]6(C)C(=CC5)C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@H](O)[C@H]7O)CC6)[H])[H])[H])[H])[H])CC[C@H](C)CN2

Canonical SMILES

OCC1OC(OC2CC3=CCC4C(CCC5(C)C4CC6OC7(NCC(C)CC7)C(C)C65)C3(C)CC2)C(O)C(O)C1OC8OC(C)C(O)C(O)C8O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,22β,25S)-spirosol-5-en-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-
  • γ2-Solamarine
  • γ-Solamarine
  • Spirosolane, β-D-glucopyranoside deriv.
  • Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-piperidine], β-D-glucopyranoside deriv.

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