Dihydroclivorine

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Basic information

CAS: 90282-82-9
Standard SMILES: CC/C1=C/[C@@H](C)[C@](C)(OC(C)=O)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O
InChIKey: OEMNKYLEGMAVOW-WIOQBUNOSA-N
Molecular formula: C21H29NO7
Average molar mass: 407.5 g/mol
Monoisotopic mass: 407.19440226

Names & identifiers

Preferred name: Dihydroclivorine
IUPAC: [(1R,4Z,6R,7S,11Z)-4-ethyl-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadeca-4,11-dien-7-yl] acetate

Names & synonyms

Dihydroclivorine90282-82-9CCRIS 5785BRN 56584184,8-Secosenecionan-8,11,16-trione, 15,20-dihydro-12-(acetyloxy)-14,15-didehydro-4-methyl-, (12-beta,14Z)-

Database identifiers

CAS: 90282-82-9
PubChem CID: 6440919

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 99.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 29
Formal charge: 0
Complexity: 754

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Compound notes

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