About [(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bR)-1-but-1-en-2-yl-9-hydroxyimino-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-8-yl]methanol;2-[(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bS)-9-hydroxyimino-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-1-yl]prop-2-enyl methanesulfonate;2-aminoethanol
[(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bR)-1-but-1-en-2-yl-9-hydroxyimino-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-8-yl]methanol;2-[(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bS)-9-hydroxyimino-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-1-yl]prop-2-enyl methanesulfonate;2-aminoethanol (PubChem CID 172941260) has the molecular formula C64H109N3O10S
and a molecular weight of 1112.65 g/mol. Its IUPAC name is [(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bR)-1-but-1-en-2-yl-9-hydroxyimino-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-8-yl]methanol;2-[(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bS)-9-hydroxyimino-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-1-yl]prop-2-enyl methanesulfonate;2-aminoethanol.
Frequently Asked Questions
What is the IUPAC name of [(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bR)-1-but-1-en-2-yl-9-hydroxyimino-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-8-yl]methanol;2-[(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bS)-9-hydroxyimino-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-1-yl]prop-2-enyl methanesulfonate;2-aminoethanol?
The IUPAC name of [(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bR)-1-but-1-en-2-yl-9-hydroxyimino-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-8-yl]methanol;2-[(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bS)-9-hydroxyimino-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-1-yl]prop-2-enyl methanesulfonate;2-aminoethanol (CID 172941260) is [(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bR)-1-but-1-en-2-yl-9-hydroxyimino-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-8-yl]methanol;2-[(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bS)-9-hydroxyimino-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-1-yl]prop-2-enyl methanesulfonate;2-aminoethanol.
What is the SMILES notation for [(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bR)-1-but-1-en-2-yl-9-hydroxyimino-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-8-yl]methanol;2-[(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bS)-9-hydroxyimino-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-1-yl]prop-2-enyl methanesulfonate;2-aminoethanol?
The canonical SMILES for [(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bR)-1-but-1-en-2-yl-9-hydroxyimino-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-8-yl]methanol;2-[(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bS)-9-hydroxyimino-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-1-yl]prop-2-enyl methanesulfonate;2-aminoethanol is C=C(CC)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N/O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12.C=C(COS(C)(=O)=O)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N/O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12.NCCO.
What is the InChIKey of [(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bR)-1-but-1-en-2-yl-9-hydroxyimino-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-8-yl]methanol;2-[(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bS)-9-hydroxyimino-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-1-yl]prop-2-enyl methanesulfonate;2-aminoethanol?
The InChIKey is ZJTUTHIWGGDHRI-VEBSSVDLSA-N. The full InChI is InChI=1S/C31H51NO6S.C31H51NO3.C2H7NO/c1-20(17-38-39(6,36)37)21-9-14-31(19-34)16-15-29(4)22(26(21)31)7-8-24-27(2)12-11-25(32-35)28(3,18-33)23(27)10-13-30(24,29)5;1-7-20(2)21-10-15-31(19-34)17-16-29(5)22(26(21)31)8-9-24-27(3)13-12-25(32-35)28(4,18-33)23(27)11-14-30(24,29)6;3-1-2-4/h21-24,26,33-35H,1,7-19H2,2-6H3;21-24,26,33-35H,2,7-19H2,1,3-6H3;4H,1-3H2/b2*32-25-;/t2*21-,22+,23+,24+,26+,27-,28-,29+,30+,31+;/m00./s1.
What are the key properties of [(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bR)-1-but-1-en-2-yl-9-hydroxyimino-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-8-yl]methanol;2-[(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bS)-9-hydroxyimino-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-1-yl]prop-2-enyl methanesulfonate;2-aminoethanol?
[(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bR)-1-but-1-en-2-yl-9-hydroxyimino-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-8-yl]methanol;2-[(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bS)-9-hydroxyimino-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-1-yl]prop-2-enyl methanesulfonate;2-aminoethanol has a molecular weight of 1112.65 g/mol, XLogP of 11.16, 11 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bR)-1-but-1-en-2-yl-9-hydroxyimino-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-8-yl]methanol;2-[(1R,3aS,5aR,5bR,7aR,8S,9Z,11aR,11bR,13aR,13bS)-9-hydroxyimino-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-1-yl]prop-2-enyl methanesulfonate;2-aminoethanol is sourced from PubChem (CID 172941260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).