3-[[(3R,8R,10R,14R,17R)-12-acetyloxy-4,4,8,10,14-pentamethyl-17-(6-methyl-2-oxidanyl-hept-5-en-2-yl)-17-oxidanyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[(3R,8R,10R,14R,17R)-12-acetyloxy-4,4,8,10,14-pentamethyl-17-(6-methyl-2-oxidanyl-hept-5-en-2-yl)-17-oxidanyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[(3R,8R,10R,14R,17R)-12-acetoxy-17-hydroxy-17-(1-hydroxy-1,5-dimethyl-hex-4-enyl)-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-oxo-propanoic acid CAS Name: 3-[[(3R,8R,10R,14R,17R)-12-acetyloxy-17-hydroxy-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid IUPAC Name: 3-[[(3R,8R,10R,14R,17R)-12-acetyloxy-17-hydroxy-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid Traditional Name: 3-[[(3R,8R,10R,14R,17R)-12-acetoxy-17-hydroxy-17-(1-hydroxy-1,5-dimethyl-hex-4-enyl)-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-keto-propionic acid Formula: C35H56O8 MolecularWeight: 604.81434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(C1(CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC(=O)CC(=O)O)C)C)OC(=O)C)C)O)O)C

Isomeric SMILES

CC(=CCCC(C)([C@]1(CC[C@@]2(C1C(CC3[C@]2(CCC4[C@@]3(CC[C@H](C4(C)C)OC(=O)CC(=O)O)C)C)OC(=O)C)C)O)O)C

InChI

InChI=1S/C35H56O8/c1-21(2)11-10-14-34(9,40)35(41)18-17-33(8)29(35)23(42-22(3)36)19-25-31(6)15-13-26(43-28(39)20-27(37)38)30(4,5)24(31)12-16-32(25,33)7/h11,23-26,29,40-41H,10,12-20H2,1-9H3,(H,37,38)/t23?,24?,25?,26-,29?,31+,32-,33-,34?,35-/m1/s1