Basic information
- CAS
15437-53-3- Standard SMILES
C[C@]12C=C/C(=N/NC(=O)CCCCCCCCC(=O)N/N=C3/C=C[C@@]4(C)C(=C3)CC[C@@H]3[C@@H]4CC[C@@]4(C)[C@H]3CC[C@]4(C)O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O- InChIKey
ISUOPUUQRIMNNP-KYJQHUSJSA-N- Molecular formula
- C50H74N4O4
- Average molar mass
- 795.1 g/mol
- Monoisotopic mass
- 794.57100685
Names & identifiers
- Preferred name
- Sebacic acid, bis((17beta-hydroxy-17-methylandrosta-1,4-dien-3-ylidene)hydrazide)
- IUPAC
- N,N'-bis[(Z)-[(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ylidene]amino]decanediamide
Names & synonyms
Sebacic acid, bis((17beta-hydroxy-17-methylandrosta-1,4-dien-3-ylidene)hydrazide)15437-53-3Androsta-1,4-dien-3-one, 17beta-hydroxy-17-methyl-, sebacoyldihydrazone
Database identifiers
- CAS
15437-53-3- PubChem CID
- 56842007
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,700
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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