CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCCCCC(=O)N5CC(C(C5)O)C(C6=CC=CC=C6)OC(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C)C
Nombre: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[6-[3-[bis(4-methoxyphenyl)methoxy-phenylmethyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCCCCC(=O)N5CC(C(C5)O)C(C6=CC=CC=C6)OC(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C)C

Molecular Processing

Molecular formula
C60H84N2O7
Molecular weight
945.34
Exact mass
944.6279
XLogP
13.07
TPSA
106.56
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
20
Heavy atoms
69
Rings
8
Aromatic rings
3
Saturated rings
4
Aliphatic rings
5
Stereo centers
11
Undefined stereo
11
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.633
Molar refractivity
273.96

Supplementary Information

InChIKey: HWEDCPRBIVOWMY-UHFFFAOYSA-N
Sinónimos
SCHEMBL19457926HWEDCPRBIVOWMY-UHFFFAOYSA-N(6-{3-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-pyrrolidin-1-yl}-6-oxo-hexyl)-carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl Ester
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