[5-(2-Hydroxy-1-hydroxymethyl-ethylcarbamoyl)-pentyl]-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

HCID 68636631

Basic information

Standard SMILES
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)NCCCCCC(=O)NC(CO)CO)CCC4(C)C3CCC12C
InChIKey
WVIXSZMOXPCBSL-UHFFFAOYSA-N
Molecular formula
C37H64N2O5
Average molar mass
616.9 g/mol

Names & identifiers

Preferred name
[5-(2-Hydroxy-1-hydroxymethyl-ethylcarbamoyl)-pentyl]-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
IUPAC
[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-(1,3-dihydroxypropan-2-ylamino)-6-oxohexyl]carbamate

Names & synonyms

SCHEMBL3422824WVIXSZMOXPCBSL-UHFFFAOYSA-N[5-(2-Hydroxy-1-hydroxymethyl-ethylcarbamoyl)-pentyl]-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[5-(2-Hydroxy-1-hydroxymethyl-ethylcarbamoyl)-pentyl]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

Database identifiers

PubChem CID
68636631

Properties

Computed structural properties

XLogP
8
Topological polar surface area
108 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
16
Heavy atoms
44

Related reactions

4 records

Compound notes

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