(E,2R)-6-methyl-7-oxidanylidene-2-[(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxidanyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid

Systemtic Name: (E,2R)-6-methyl-7-oxidanylidene-2-[(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxidanyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid Openeye Name: (E,2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-7-oxo-hept-5-enoic acid CAS Name: (E,2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-7-oxo-5-heptenoic acid IUPAC Name: (E,2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-7-oxohept-5-enoic acid Traditional Name: (E,2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-keto-6-methyl-hept-5-enoic acid Formula: C30H46O4 MolecularWeight: 470.68384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)C(=O)O)C=O

Isomeric SMILES

C/C(=C\CC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(=O)O)/C=O

InChI

InChI=1S/C30H46O4/c1-19(18-31)8-7-9-20(26(33)34)21-12-16-30(6)23-10-11-24-27(2,3)25(32)14-15-28(24,4)22(23)13-17-29(21,30)5/h8,18,20-21,24-25,32H,7,9-17H2,1-6H3,(H,33,34)/b19-8+/t20-,21-,24+,25+,28-,29-,30+/m1/s1