(2s,3r,4s,5s,6r)-2-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[(10r,12s,14r,17s)-12-hydroxy-17-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,6,10,14-pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-6-(hydroxymethyl)-2-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Structural Information

Molecular Formula

C₄₇H₈₀O₁₇

SMILES

CC1CC2C(C[C@@H](C3[C@@]2(CC[C@@H]3[C@](C)(CCC=C(C)C)O)C)O)[C@@]4(C1C(C(CC4)[C@@]5([C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)(C)C)C

InChI

InChI=1S/C47H80O17/c1-21(2)10-9-13-46(8,59)23-11-14-44(6)24-16-22(3)39-43(4,5)30(12-15-45(39,7)25(24)17-26(50)31(23)44)47(64-41-37(57)32(52)27(51)20-60-41)40(36(56)34(54)29(19-49)63-47)62-42-38(58)35(55)33(53)28(18-48)61-42/h10,22-42,48-59H,9,11-20H2,1-8H3/t22?,23-,24?,25?,26-,27+,28+,29+,30?,31?,32-,33+,34+,35-,36-,37+,38+,39?,40+,41-,42-,44+,45+,46-,47-/m0/s1

InChIKey

LRAHEMDGLNXPKE-KBNHJXMZSA-N

Compound name

(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[(10R,12S,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,6,10,14-pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-6-(hydroxymethyl)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Related CIDs

• CID 3036903