D-myo-Inositol, 6-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-, 1-[(2S,3R,3aS,4S,4′S,5′R,6S,7aR)-4′-(benzoyloxy)decahydro-3,3a,4-trihydroxy-5′-methylspiro[benzofuran-2(3H),2′-[2H]pyran]-6-carboxylate]

CAS Registry Number®

294864-89-4

CAS Name

D-myo-Inositol, 6-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-, 1-[(2S,3R,3aS,4S,4′S,5′R,6S,7aR)-4′-(benzoyloxy)decahydro-3,3a,4-trihydroxy-5′-methylspiro[benzofuran-2(3H),2′-[2H]pyran]-6-carboxylate]

Molecular Formula

C35H49NO18

Molecular Mass

771.76

Cite this Page

D-myo-Inositol, 6-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-, 1-[(2S,3R,3aS,4S,4′S,5′R,6S,7aR)-4′-(benzoyloxy)decahydro-3,3a,4-trihydroxy-5′-methylspiro[benzofuran-2(3H),2′-[2H]pyran]-6-carboxylate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=294864-89-4 (retrieved 2024-11-14) (CAS RN: 294864-89-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    183-185 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H49NO18/c1-14-13-49-34(11-20(14)51-30(45)16-6-4-3-5-7-16)33(47)35(48)22(40)8-17(9-23(35)54-34)31(46)50-19-10-18(39)25(41)28(44)29(19)53-32-24(36-15(2)38)27(43)26(42)21(12-37)52-32/h3-7,14,17-29,32-33,37,39-44,47-48H,8-13H2,1-2H3,(H,36,38)/t14-,17+,18+,19-,20+,21-,22+,23-,24-,25-,26-,27-,28+,29+,32+,33+,34+,35-/m1/s1

InChIKey

InChIKey=OFMUQXHBRUAVAD-VRCSDNCSSA-N

SMILES

O[C@H]1[C@@]2(O[C@]3([C@]1(O)[C@@H](O)C[C@H](C(O[C@H]4[C@H](O[C@H]5[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@@H](O)[C@H](O)[C@@H](O)C4)=O)C3)[H])C[C@H](OC(=O)C6=CC=CC=C6)[C@H](C)CO2

Canonical SMILES

O=C(OC1CC2(OCC1C)OC3CC(C(=O)OC4CC(O)C(O)C(O)C4OC5OC(CO)C(O)C(O)C5NC(=O)C)CC(O)C3(O)C2O)C=6C=CC=CC6

Other Names for this Substance

  • D-myo-Inositol, 6-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-, 1-[(2S,3R,3aS,4S,4′S,5′R,6S,7aR)-4′-(benzoyloxy)decahydro-3,3a,4-trihydroxy-5′-methylspiro[benzofuran-2(3H),2′-[2H]pyran]-6-carboxylate]
  • Phyllanthusol B
  • Phyllanthacidoid B

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles