(1S,2R,4R,6aR,9R,10R,11R,12aR)-9-(hydroxymethyl)-1,2,6a,9,12a-pentamethyl-10,11-bis(oxidanyl)-2,3,4,4a,5,6,6a,6b,7,8,8a,10,11,12,13,14,14a,14b-octadecahydro-1H-picene-4-carboxylic acid; ethane-1,2-diamine

Systemtic Name: (1S,2R,4R,6aR,9R,10R,11R,12aR)-9-(hydroxymethyl)-1,2,6a,9,12a-pentamethyl-10,11-bis(oxidanyl)-2,3,4,4a,5,6,6a,6b,7,8,8a,10,11,12,13,14,14a,14b-octadecahydro-1H-picene-4-carboxylic acid; ethane-1,2-diamine Openeye Name: (1S,2R,4R,6aR,9R,10R,11R,12aR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,9,12a-pentamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,10,11,12,13,14,14a,14b-octadecahydro-1H-picene-4-carboxylic acid; ethane-1,2-diamine CAS Name: (1S,2R,4R,6aR,9R,10R,11R,12aR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,9,12a-pentamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,10,11,12,13,14,14a,14b-octadecahydro-1H-picene-4-carboxylic acid; ethane-1,2-diamine IUPAC Name: (1S,2R,4R,6aR,9R,10R,11R,12aR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,9,12a-pentamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,10,11,12,13,14,14a,14b-octadecahydro-1H-picene-4-carboxylic acid; ethane-1,2-diamine Traditional Name: (1S,2R,4R,6aR,9R,10R,11R,12aR)-10,11-dihydroxy-1,2,6a,9,12a-pentamethyl-9-methylol-2,3,4,4a,5,6,6a,6b,7,8,8a,10,11,12,13,14,14a,14b-octadecahydro-1H-picene-4-carboxylic acid; 2-aminoethylamine Formula: C31H56N2O5 MolecularWeight: 536.78674

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2CCC3(C4CCC5C(C4CCC3C2C1C)(CC(C(C5(C)CO)O)O)C)C)C(=O)O.C(CN)N

Isomeric SMILES

C[C@@H]1C[C@H](C2CC[C@]3(C4CCC5[C@@](C4CCC3C2[C@H]1C)(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)C(=O)O.C(CN)N

InChI

InChI=1S/C29H48O5.C2H8N2/c1-15-12-18(26(33)34)17-10-11-27(3)19-8-9-23-28(4,13-22(31)25(32)29(23,5)14-30)20(19)6-7-21(27)24(17)16(15)2;3-1-2-4/h15-25,30-32H,6-14H2,1-5H3,(H,33,34);1-4H2/t15-,16+,17?,18-,19?,20?,21?,22-,23?,24?,25+,27+,28-,29+;/m1./s1