[(3s,5s,8s,9s,10s,11s,12s,13s,14r,17s)-17-acetyl-3-[(2r,4r,5r,6r)-5-[(2s,3r,4r,5r,6r)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-8,14-dihydroxy-10,13-dimethyl-12-[(e)-2-methylbut-2-enoyl]oxy-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-11-yl] (e)-2-methylbut-2-enoate

Structural Information

Molecular Formula

C₄₅H₇₀O₁₅

SMILES

C/C=C(\C)/C(=O)O[C@H]1[C@@H]2[C@]3(CC[C@@H](C[C@@H]3CC[C@]2([C@]4(CC[C@@H]([C@]4([C@@H]1OC(=O)/C(=C/C)/C)C)C(=O)C)O)O)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)C)O)OC)O)OC)C

InChI

InChI=1S/C45H70O15/c1-12-22(3)39(49)58-36-37-42(8)17-15-28(57-31-21-30(53-10)34(26(7)55-31)59-41-33(48)35(54-11)32(47)25(6)56-41)20-27(42)14-18-44(37,51)45(52)19-16-29(24(5)46)43(45,9)38(36)60-40(50)23(4)13-2/h12-13,25-38,41,47-48,51-52H,14-21H2,1-11H3/b22-12+,23-13+/t25-,26-,27+,28+,29-,30-,31+,32-,33-,34-,35-,36+,37-,38-,41+,42+,43+,44+,45-/m1/s1

InChIKey

BGVNWJFEUBPKJW-BRKFEIIESA-N

Compound name

[(3S,5S,8S,9S,10S,11S,12S,13S,14R,17S)-17-acetyl-3-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14-dihydroxy-10,13-dimethyl-12-[(E)-2-methylbut-2-enoyl]oxy-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl] (E)-2-methylbut-2-enoate

Related CIDs

• CID 134816004