sodium;[(6R,7R,9R,10S,13S)-7,9-dibenzoyloxy-10,13-dimethyl-15-oxo-17-[1-(6-oxo-4-propan-2-yloxan-2-yl)ethyl]-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate;6-[3-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-4-propan-2-yloxan-2-one;[6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-propan-2-ylheptyl] acetate;6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptane-1,5-diol;methanol;methanolate;4-propan-2-yl-6-[1-[(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-10,13-dimethyl-15-oxo-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxan-2-one;(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-17-[1-(6-hydroxy-4-propan-2-yloxan-2-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-one

C264H363NaO39 — CID 161380253

About sodium;[(6R,7R,9R,10S,13S)-7,9-dibenzoyloxy-10,13-dimethyl-15-oxo-17-[1-(6-oxo-4-propan-2-yloxan-2-yl)ethyl]-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate;6-[3-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-4-propan-2-yloxan-2-one;[6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-propan-2-ylheptyl] acetate;6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptane-1,5-diol;methanol;methanolate;4-propan-2-yl-6-[1-[(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-10,13-dimethyl-15-oxo-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxan-2-one;(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-17-[1-(6-hydroxy-4-propan-2-yloxan-2-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-one

sodium;[(6R,7R,9R,10S,13S)-7,9-dibenzoyloxy-10,13-dimethyl-15-oxo-17-[1-(6-oxo-4-propan-2-yloxan-2-yl)ethyl]-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate;6-[3-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-4-propan-2-yloxan-2-one;[6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-propan-2-ylheptyl] acetate;6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptane-1,5-diol;methanol;methanolate;4-propan-2-yl-6-[1-[(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-10,13-dimethyl-15-oxo-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxan-2-one;(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-17-[1-(6-hydroxy-4-propan-2-yloxan-2-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-one (PubChem CID 161380253) has the molecular formula C264H363NaO39 and a molecular weight of 4183.76 g/mol. Its IUPAC name is sodium;[(6R,7R,9R,10S,13S)-7,9-dibenzoyloxy-10,13-dimethyl-15-oxo-17-[1-(6-oxo-4-propan-2-yloxan-2-yl)ethyl]-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate;6-[3-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-4-propan-2-yloxan-2-one;[6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-propan-2-ylheptyl] acetate;6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptane-1,5-diol;methanol;methanolate;4-propan-2-yl-6-[1-[(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-10,13-dimethyl-15-oxo-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxan-2-one;(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-17-[1-(6-hydroxy-4-propan-2-yloxan-2-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-one.

Molecular Properties

• Compound Name: sodium;[(6R,7R,9R,10S,13S)-7,9-dibenzoyloxy-10,13-dimethyl-15-oxo-17-[1-(6-oxo-4-propan-2-yloxan-2-yl)ethyl]-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate;6-[3-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-4-propan-2-yloxan-2-one;[6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-propan-2-ylheptyl] acetate;6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptane-1,5-diol;methanol;methanolate;4-propan-2-yl-6-[1-[(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-10,13-dimethyl-15-oxo-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxan-2-one;(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-17-[1-(6-hydroxy-4-propan-2-yloxan-2-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-one
• PubChem CID: 161380253
• Molecular Formula: C264H363NaO39
• Molecular Weight: 4183.76 g/mol
• Exact Mass: 4180.63
• IUPAC Name: sodium;[(6R,7R,9R,10S,13S)-7,9-dibenzoyloxy-10,13-dimethyl-15-oxo-17-[1-(6-oxo-4-propan-2-yloxan-2-yl)ethyl]-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate;6-[3-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-4-propan-2-yloxan-2-one;[6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-propan-2-ylheptyl] acetate;6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptane-1,5-diol;methanol;methanolate;4-propan-2-yl-6-[1-[(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-10,13-dimethyl-15-oxo-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxan-2-one;(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-17-[1-(6-hydroxy-4-propan-2-yloxan-2-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-one
• SMILES: CC(=O)OCCC(CC(O)C(C)C1=CCC2C3C(OCc4ccccc4)[C@H](OCc4ccccc4)C4CCCC[C@]4(C)[C@@]3(OCc3ccccc3)CC[C@]12C)C(C)C.CC(C)C(CCO)CC(O)C(C)C1=CCC2C3C(OCc4ccccc4)[C@H](OCc4ccccc4)C4CCCC[C@]4(C)[C@@]3(OCc3ccccc3)CC[C@]12C.CC(C)C1CC(=O)OC(C(C)C2=CC(=O)C3C4C(OC(=O)c5ccccc5)[C@H](OC(=O)c5ccccc5)C5CCCC[C@]5(C)[C@@]4(OC(=O)c4ccccc4)CC[C@]23C)C1.CC(C)C1CC(=O)OC(C(C)C2CC(=O)C3C4C(O)[C@H](O)C5CCCC[C@]5(C)[C@@]4(O)CC[C@]23C)C1.CC(C)C1CC(O)OC(C(C)C2CC(=O)C3C4C(O)[C@H](O)C5CCCC[C@]5(C)[C@@]4(O)CC[C@]23C)C1.CC(CCC1CC(C(C)C)CC(=O)O1)C1=CCC2C3C(OCc4ccccc4)[C@H](OCc4ccccc4)C4CCCC[C@]4(C)[C@@]3(OCc3ccccc3)CC[C@]12C.CO.C[O-].[Na+]
• InChI: InChI=1S/C52H70O6.C52H68O5.C50H56O9.C50H68O5.C29H48O6.C29H46O6.CH4O.CH3O.Na/c1-36(2)42(27-31-55-38(4)53)32-46(54)37(3)43-25-26-44-47-49(57-34-40-20-12-8-13-21-40)48(56-33-39-18-10-7-11-19-39)45-24-16-17-28-51(45,6)52(47,30-29-50(43,44)5)58-35-41-22-14-9-15-23-41;1-36(2)41-31-42(57-46(53)32-41)25-24-37(3)43-26-27-44-47-49(55-34-39-19-11-7-12-20-39)48(54-33-38-17-9-6-10-18-38)45-23-15-16-28-51(45,5)52(47,30-29-50(43,44)4)56-35-40-21-13-8-14-22-40;1-30(2)35-27-39(56-40(52)28-35)31(3)37-29-38(51)41-42-44(58-46(54)33-19-11-7-12-20-33)43(57-45(53)32-17-9-6-10-18-32)36-23-15-16-24-49(36,5)50(42,26-25-48(37,41)4)59-47(55)34-21-13-8-14-22-34;1-35(2)40(26-30-51)31-44(52)36(3)41-24-25-42-45-47(54-33-38-19-11-7-12-20-38)46(53-32-37-17-9-6-10-18-37)43-23-15-16-27-49(43,5)50(45,29-28-48(41,42)4)55-34-39-21-13-8-14-22-39;2*1-15(2)17-12-21(35-22(31)13-17)16(3)19-14-20(30)23-24-26(33)25(32)18-8-6-7-9-28(18,5)29(24,34)11-10-27(19,23)4;2*1-2;/h7-15,18-23,25,36-37,42,44-49,54H,16-17,24,26-35H2,1-6H3;6-14,17-22,26,36-37,41-42,44-45,47-49H,15-16,23-25,27-35H2,1-5H3;6-14,17-22,29-31,35-36,39,41-44H,15-16,23-28H2,1-5H3;6-14,17-22,24,35-36,40,42-47,51-52H,15-16,23,25-34H2,1-5H3;15-19,21-26,31-34H,6-14H2,1-5H3;15-19,21,23-26,32-34H,6-14H2,1-5H3;2H,1H3;1H3;/q;;;;;;;-1;+1/t37?,42?,44?,45?,46?,47?,48-,49?,50-,51+,52-;37?,41?,42?,44?,45?,47?,48-,49?,50-,51+,52-;31?,35?,36?,39?,41?,42?,43-,44?,48-,49+,50-;36?,40?,42?,43?,44?,45?,46-,47?,48-,49+,50-;16?,17?,18?,19?,21?,22?,23?,24?,25-,26?,27-,28+,29-;16?,17?,18?,19?,21?,23?,24?,25-,26?,27-,28+,29-;;;/m111111.../s1
• InChIKey: VRPXKWAUWYIDMJ-CCHQRRIMSA-N
• XLogP: 46.65
• TPSA: 573.20 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 62
• Heavy Atoms: 304
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4183.76
LogP ≤ 5	46.65
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of sodium;[(6R,7R,9R,10S,13S)-7,9-dibenzoyloxy-10,13-dimethyl-15-oxo-17-[1-(6-oxo-4-propan-2-yloxan-2-yl)ethyl]-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate;6-[3-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-4-propan-2-yloxan-2-one;[6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-propan-2-ylheptyl] acetate;6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptane-1,5-diol;methanol;methanolate;4-propan-2-yl-6-[1-[(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-10,13-dimethyl-15-oxo-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxan-2-one;(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-17-[1-(6-hydroxy-4-propan-2-yloxan-2-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-one?

The IUPAC name of sodium;[(6R,7R,9R,10S,13S)-7,9-dibenzoyloxy-10,13-dimethyl-15-oxo-17-[1-(6-oxo-4-propan-2-yloxan-2-yl)ethyl]-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate;6-[3-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-4-propan-2-yloxan-2-one;[6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-propan-2-ylheptyl] acetate;6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptane-1,5-diol;methanol;methanolate;4-propan-2-yl-6-[1-[(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-10,13-dimethyl-15-oxo-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxan-2-one;(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-17-[1-(6-hydroxy-4-propan-2-yloxan-2-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-one (CID 161380253) is sodium;[(6R,7R,9R,10S,13S)-7,9-dibenzoyloxy-10,13-dimethyl-15-oxo-17-[1-(6-oxo-4-propan-2-yloxan-2-yl)ethyl]-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate;6-[3-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-4-propan-2-yloxan-2-one;[6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-propan-2-ylheptyl] acetate;6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptane-1,5-diol;methanol;methanolate;4-propan-2-yl-6-[1-[(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-10,13-dimethyl-15-oxo-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxan-2-one;(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-17-[1-(6-hydroxy-4-propan-2-yloxan-2-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-one.

What is the SMILES notation for sodium;[(6R,7R,9R,10S,13S)-7,9-dibenzoyloxy-10,13-dimethyl-15-oxo-17-[1-(6-oxo-4-propan-2-yloxan-2-yl)ethyl]-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate;6-[3-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-4-propan-2-yloxan-2-one;[6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-propan-2-ylheptyl] acetate;6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptane-1,5-diol;methanol;methanolate;4-propan-2-yl-6-[1-[(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-10,13-dimethyl-15-oxo-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxan-2-one;(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-17-[1-(6-hydroxy-4-propan-2-yloxan-2-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-one?

The canonical SMILES for sodium;[(6R,7R,9R,10S,13S)-7,9-dibenzoyloxy-10,13-dimethyl-15-oxo-17-[1-(6-oxo-4-propan-2-yloxan-2-yl)ethyl]-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate;6-[3-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-4-propan-2-yloxan-2-one;[6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-propan-2-ylheptyl] acetate;6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptane-1,5-diol;methanol;methanolate;4-propan-2-yl-6-[1-[(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-10,13-dimethyl-15-oxo-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxan-2-one;(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-17-[1-(6-hydroxy-4-propan-2-yloxan-2-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-one is CC(=O)OCCC(CC(O)C(C)C1=CCC2C3C(OCc4ccccc4)[C@H](OCc4ccccc4)C4CCCC[C@]4(C)[C@@]3(OCc3ccccc3)CC[C@]12C)C(C)C.CC(C)C(CCO)CC(O)C(C)C1=CCC2C3C(OCc4ccccc4)[C@H](OCc4ccccc4)C4CCCC[C@]4(C)[C@@]3(OCc3ccccc3)CC[C@]12C.CC(C)C1CC(=O)OC(C(C)C2=CC(=O)C3C4C(OC(=O)c5ccccc5)[C@H](OC(=O)c5ccccc5)C5CCCC[C@]5(C)[C@@]4(OC(=O)c4ccccc4)CC[C@]23C)C1.CC(C)C1CC(=O)OC(C(C)C2CC(=O)C3C4C(O)[C@H](O)C5CCCC[C@]5(C)[C@@]4(O)CC[C@]23C)C1.CC(C)C1CC(O)OC(C(C)C2CC(=O)C3C4C(O)[C@H](O)C5CCCC[C@]5(C)[C@@]4(O)CC[C@]23C)C1.CC(CCC1CC(C(C)C)CC(=O)O1)C1=CCC2C3C(OCc4ccccc4)[C@H](OCc4ccccc4)C4CCCC[C@]4(C)[C@@]3(OCc3ccccc3)CC[C@]12C.CO.C[O-].[Na+].

What is the InChIKey of sodium;[(6R,7R,9R,10S,13S)-7,9-dibenzoyloxy-10,13-dimethyl-15-oxo-17-[1-(6-oxo-4-propan-2-yloxan-2-yl)ethyl]-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate;6-[3-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-4-propan-2-yloxan-2-one;[6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-propan-2-ylheptyl] acetate;6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptane-1,5-diol;methanol;methanolate;4-propan-2-yl-6-[1-[(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-10,13-dimethyl-15-oxo-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxan-2-one;(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-17-[1-(6-hydroxy-4-propan-2-yloxan-2-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-one?

The InChIKey is VRPXKWAUWYIDMJ-CCHQRRIMSA-N. The full InChI is InChI=1S/C52H70O6.C52H68O5.C50H56O9.C50H68O5.C29H48O6.C29H46O6.CH4O.CH3O.Na/c1-36(2)42(27-31-55-38(4)53)32-46(54)37(3)43-25-26-44-47-49(57-34-40-20-12-8-13-21-40)48(56-33-39-18-10-7-11-19-39)45-24-16-17-28-51(45,6)52(47,30-29-50(43,44)5)58-35-41-22-14-9-15-23-41;1-36(2)41-31-42(57-46(53)32-41)25-24-37(3)43-26-27-44-47-49(55-34-39-19-11-7-12-20-39)48(54-33-38-17-9-6-10-18-38)45-23-15-16-28-51(45,5)52(47,30-29-50(43,44)4)56-35-40-21-13-8-14-22-40;1-30(2)35-27-39(56-40(52)28-35)31(3)37-29-38(51)41-42-44(58-46(54)33-19-11-7-12-20-33)43(57-45(53)32-17-9-6-10-18-32)36-23-15-16-24-49(36,5)50(42,26-25-48(37,41)4)59-47(55)34-21-13-8-14-22-34;1-35(2)40(26-30-51)31-44(52)36(3)41-24-25-42-45-47(54-33-38-19-11-7-12-20-38)46(53-32-37-17-9-6-10-18-37)43-23-15-16-27-49(43,5)50(45,29-28-48(41,42)4)55-34-39-21-13-8-14-22-39;2*1-15(2)17-12-21(35-22(31)13-17)16(3)19-14-20(30)23-24-26(33)25(32)18-8-6-7-9-28(18,5)29(24,34)11-10-27(19,23)4;2*1-2;/h7-15,18-23,25,36-37,42,44-49,54H,16-17,24,26-35H2,1-6H3;6-14,17-22,26,36-37,41-42,44-45,47-49H,15-16,23-25,27-35H2,1-5H3;6-14,17-22,29-31,35-36,39,41-44H,15-16,23-28H2,1-5H3;6-14,17-22,24,35-36,40,42-47,51-52H,15-16,23,25-34H2,1-5H3;15-19,21-26,31-34H,6-14H2,1-5H3;15-19,21,23-26,32-34H,6-14H2,1-5H3;2H,1H3;1H3;/q;;;;;;;-1;+1/t37?,42?,44?,45?,46?,47?,48-,49?,50-,51+,52-;37?,41?,42?,44?,45?,47?,48-,49?,50-,51+,52-;31?,35?,36?,39?,41?,42?,43-,44?,48-,49+,50-;36?,40?,42?,43?,44?,45?,46-,47?,48-,49+,50-;16?,17?,18?,19?,21?,22?,23?,24?,25-,26?,27-,28+,29-;16?,17?,18?,19?,21?,23?,24?,25-,26?,27-,28+,29-;;;/m111111.../s1.

What are the key properties of sodium;[(6R,7R,9R,10S,13S)-7,9-dibenzoyloxy-10,13-dimethyl-15-oxo-17-[1-(6-oxo-4-propan-2-yloxan-2-yl)ethyl]-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate;6-[3-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-4-propan-2-yloxan-2-one;[6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-propan-2-ylheptyl] acetate;6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptane-1,5-diol;methanol;methanolate;4-propan-2-yl-6-[1-[(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-10,13-dimethyl-15-oxo-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxan-2-one;(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-17-[1-(6-hydroxy-4-propan-2-yloxan-2-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-one?

sodium;[(6R,7R,9R,10S,13S)-7,9-dibenzoyloxy-10,13-dimethyl-15-oxo-17-[1-(6-oxo-4-propan-2-yloxan-2-yl)ethyl]-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate;6-[3-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-4-propan-2-yloxan-2-one;[6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-propan-2-ylheptyl] acetate;6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptane-1,5-diol;methanol;methanolate;4-propan-2-yl-6-[1-[(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-10,13-dimethyl-15-oxo-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxan-2-one;(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-17-[1-(6-hydroxy-4-propan-2-yloxan-2-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-one has a molecular weight of 4183.76 g/mol, XLogP of 46.65, 62 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;[(6R,7R,9R,10S,13S)-7,9-dibenzoyloxy-10,13-dimethyl-15-oxo-17-[1-(6-oxo-4-propan-2-yloxan-2-yl)ethyl]-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate;6-[3-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]butyl]-4-propan-2-yloxan-2-one;[6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-propan-2-ylheptyl] acetate;6-[(6R,7R,9R,10S,13S)-10,13-dimethyl-6,7,9-tris(phenylmethoxy)-1,2,3,4,5,6,7,8,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptane-1,5-diol;methanol;methanolate;4-propan-2-yl-6-[1-[(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-10,13-dimethyl-15-oxo-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxan-2-one;(6R,7R,9R,10S,13R)-6,7,9-trihydroxy-17-[1-(6-hydroxy-4-propan-2-yloxan-2-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-one is sourced from PubChem (CID 161380253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).