cholest-8-en-23-one, 3-[[O-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-α-L-threo-hexopyranosyl-(1->4)-O-[O-β-D-erythro-hexopyranosyl-(1->2)-O-β-D-erythro-hexopyranosyl-(1->6)-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-β-D-erythro-hexopyranosyl-(1->2)]-(3ξ)-β-D-erythro-pentopyranosyl]oxy]-25-hydroxy-4,4-dimethyl-, (3β,5α,20R)-

More details:

• Systematic name

  (1E)-N-[(2S,3R,5R)-2-[(3R,5R,6S)-5-[(2S,3R,5S)-6-[[(2R,3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-4,5-dihydroxy-3-[(E)-1-hydroxyethylideneamino]tetrahydropyran-2-yl]oxy-4-hydroxy-6-[[(3S,5R,10S,13R,14R,17R)-17-[(1R)-5-hydroxy-1,5-dimethyl-3-oxo-hexyl]-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]ethanimidic acid

• SMILES

  C[C@H](CC(=O)CC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H](C([C@@H](CO5)O[C@H]6[C@@H](C([C@H](C(O6)CO)O)O)/N=C(\C)/O)O)O[C@H]7[C@@H](C([C@@H](C(O7)CO[C@H]8[C@@H](C([C@@H](C(O8)CO)O)O)O[C@H]9[C@@H](C([C@@H](C(O9)CO)O)O)O)O)O)/N=C(\C)/O)C)C

• Std. InChi

  InChI=1S/C62H102N2O27/c1-25(18-28(70)19-59(4,5)81)30-11-12-31-29-10-13-38-60(6,7)39(15-17-62(38,9)32(29)14-16-61(30,31)8)89-58-52(46(75)37(24-83-58)88-54-40(63-26(2)68)47(76)42(71)33(20-65)84-54)90-55-41(64-27(3)69)48(77)45(74)36(87-55)23-82-57-53(50(79)44(73)35(22-67)86-57)91-56-51(80)49(78)43(72)34(21-66)85-56/h25,30-31,33-58,65-67,71-81H,10-24H2,1-9H3,(H,63,68)(H,64,69)/t25-,30-,31+,33?,34?,35?,36?,37-,38+,39+,40-,41-,42+,43-,44-,45-,46?,47?,48?,49?,50?,51-,52-,53-,54+,55+,56+,57-,58+,61-,62-/m1/s1

• Std. InChIKey

  IFLLFJMUKCVLRY-KEGBTPJKSA-N

• Cite this record

  CSID:21431297, http://www.chemspider.com/Chemical-Structure.21431297.html (accessed 01:28, Jun 30, 2024)