(2R)-2-[(3R,4S,8S,10S,11R,14S,16S,17S)-16-(2-chloranylethanoyloxy)-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-hex-4-enoic acid

Systemtic Name: (2R)-2-[(3R,4S,8S,10S,11R,14S,16S,17S)-16-(2-chloranylethanoyloxy)-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-hex-4-enoic acid Openeye Name: (2R)-2-[(3R,4S,8S,10S,11R,14S,16S,17S)-16-(2-chloroacetyl)oxy-3,11-dihydroxy-4,8,10,14-tetramethyl-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-hex-4-enoic acid CAS Name: (2R)-2-[(3R,4S,8S,10S,11R,14S,16S,17S)-16-(2-chloro-1-oxoethoxy)-3,11-dihydroxy-4,8,10,14-tetramethyl-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-4-hexenoic acid IUPAC Name: (2R)-2-[(3R,4S,8S,10S,11R,14S,16S,17S)-16-(2-chloroacetyl)oxy-3,11-dihydroxy-4,8,10,14-tetramethyl-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-methylhex-4-enoic acid Traditional Name: (2R)-2-[(3R,4S,8S,10S,11R,14S,16S,17S)-16-(2-chloroacetyl)oxy-3,11-dihydroxy-4,8,10,14-tetramethyl-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-hex-4-enoic acid Formula: C30H47ClO6 MolecularWeight: 539.14358

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4C(CC=C(C)C)C(=O)O)OC(=O)CCl)C)O)C

Isomeric SMILES

C[C@@H]1[C@@H](CC[C@]2(C1CC[C@]3(C2[C@@H](CC4[C@@]3(C[C@@H]([C@@H]4[C@@H](CC=C(C)C)C(=O)O)OC(=O)CCl)C)O)C)C)O

InChI

InChI=1S/C30H47ClO6/c1-16(2)7-8-18(27(35)36)25-20-13-22(33)26-28(4)11-10-21(32)17(3)19(28)9-12-29(26,5)30(20,6)14-23(25)37-24(34)15-31/h7,17-23,25-26,32-33H,8-15H2,1-6H3,(H,35,36)/t17-,18+,19?,20?,21+,22+,23-,25+,26?,28-,29-,30-/m0/s1