Atis-16-ene-2,14-dione, 3-hydroxy-, (3alpha,5beta,8alpha,9beta,10alpha,12alpha)-

HCID 392473

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 136025-63-3
Standard SMILES: C=C1C[C@@]23CC[C@@H]4C(C)(C)[C@H](O)C(=O)C[C@@]4(C)[C@@H]2C[C@@H]1CC3=O
InChIKey: DSGJNNDCMDMSTM-KKVGBOLFSA-N
Molecular formula: C20H28O3
Average molar mass: 316.4 g/mol
Monoisotopic mass: 316.20384475

Overview

3-Hydroxyatis-16-ene-2,14-dione has been reported in Euphorbia guyoniana with data available.

Names & identifiers

Preferred name: Atis-16-ene-2,14-dione, 3-hydroxy-, (3alpha,5beta,8alpha,9beta,10alpha,12alpha)-
IUPAC: (1S,4S,6S,9R,10S,12R)-6-hydroxy-5,5,9-trimethyl-16-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane-7,14-dione

Names & synonyms

NSC692969136025-63-3NSC 692969Atis-16-ene-2,14-dione, 3-hydroxy-, (3alpha,5beta,8alpha,9beta,10alpha,12alpha)-ent-3S-Hydroxy-atis-16(17)-en-1,14-dioneDTXSID609292283-Hydroxyatis-16-ene-2,14-dioneNSC-692969ent-3S-hydroxy-atis-16(17)-en-1,4-dione3alpha-Hydroxy-5beta,8alpha,9beta,10alpha,12alpha-atis-16-ene-2,14-dione(1S,4S,6S,9R,10S,12R)-6-hydroxy-5,5,9-trimethyl-16-methylene-tetracyclo[10.2.2.01,10.04,9]hexadecane-7,14-dioneAtis-16-ene-2,14-dione, 3-hydroxy-, (3.alpha.,5.beta.,8.alpha.,9.beta.,10.alpha.,12.alpha.)-

Database identifiers

CAS: 136025-63-3
PubChem CID: 392473
DTXSID: DTXSID60929228

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 23
Formal charge: 0
Complexity: 618

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…