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[(3S,8R,9S,10R,13S,14S,17E)-17-(carbamoylhydrazinylidene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

HCID 9561876
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Basic information

CAS
983-28-8
Standard SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)/C(=N/NC(N)=O)CC[C@@H]32)C1
InChIKey
CDZFBBLHHNZLCF-OOKVRPSSSA-N
Molecular formula
C22H33N3O3
Average molar mass
387.5 g/mol
Monoisotopic mass
387.25219192

Names & identifiers

Preferred name
[(3S,8R,9S,10R,13S,14S,17E)-17-(carbamoylhydrazinylidene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
IUPAC
[(3S,8R,9S,10R,13S,14S,17E)-17-(carbamoylhydrazinylidene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

Names & synonyms

NSC82871983-28-8NSC-82871

Database identifiers

CAS
983-28-8
PubChem CID
9561876

Properties

Computed structural properties

XLogP
3
Topological polar surface area
93.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
28
Formal charge
0
Complexity
745

Related reactions

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Compound notes

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