COCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12

Nom: 2-methoxymethyl-estra-1,3,5(10)-triene-3,17β-diol

IUPAC: (8R,9S,13S,14S,17S)-2-(methoxymethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

SMILES: COCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12

Canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)COC)O

Formule moléculaire: C20H28O3

Masse molaire: 316.40

InChIKey: JMPWQPBBPXSYDS-SSGANFLRSA-N

InChI:

InChI=1S/C20H28O3/c1-20-8-7-14-15(17(20)5-6-19(20)22)4-3-12-10-18(21)13(11-23-2)9-16(12)14/h9-10,14-15,17,19,21-22H,3-8,11H2,1-2H3/t14-,15+,17-,19-,20-/m0/s1

PubChem CID: 9797000 →

Synonymes

2-methoxymethylestradiolSCHEMBL1021632CHEMBL1628187JMPWQPBBPXSYDS-SSGANFLRSA-N2-methoxymethyl-estra-1,3,5(10)-triene-3,17beta-diol(8R,9S,13S,14S,17S)-2-(methoxymethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→