(3s,4r,5s,6r,7r,8s,9r,10s,13r,14s,15r,17r)-3-[(2s,3r,4s,5r)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy-17-[(e,2r,5r)-5-[(2r,3r,4r,5s)-5-[[(2s,3r,4s,5r)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-4,6,7,8,15-pentol

Structural Information

Molecular Formula

C₄₄H₇₄O₁₉

SMILES

C[C@H](/C=C/[C@@H](C(C)C)O[C@H]1[C@@H]([C@H]([C@@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)OC)O)O)[C@H]3C[C@H]([C@@H]4[C@@]3(CC[C@H]5[C@]4([C@@H]([C@@H]([C@@H]6[C@@]5(CC[C@@H]([C@@H]6O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)OC)C)O)O)O)C)O

InChI

InChI=1S/C44H74O19/c1-18(2)24(61-39-34(53)32(51)26(63-39)17-60-40-35(56-6)29(48)22(46)15-58-40)9-8-19(3)20-14-21(45)37-42(20,4)13-11-27-43(5)12-10-25(31(50)28(43)33(52)38(54)44(27,37)55)62-41-36(57-7)30(49)23(47)16-59-41/h8-9,18-41,45-55H,10-17H2,1-7H3/b9-8+/t19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,29+,30+,31+,32+,33-,34-,35-,36-,37-,38-,39-,40+,41+,42-,43-,44+/m1/s1

InChIKey

JLSBRWJFUJFKOK-ULDPRFGRSA-N

Compound name

(3S,4R,5S,6R,7R,8S,9R,10S,13R,14S,15R,17R)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy-17-[(E,2R,5R)-5-[(2R,3R,4R,5S)-5-[[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-4,6,7,8,15-pentol

Related CIDs

• CID 162874154