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
- Formal charge
- 0
- Complexity
- 979
Related reactions
4 records
Compound notes
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