Benzaldehyde, 4-[(11?,17?)-17-methoxy-17-(methoxymethyl)-3-oxoestra-4,9-dien-11-yl]-

Benzaldehyde, 4-[(11?,17?)-17-methoxy-17-(methoxymethyl)-3-oxoestra-4,9-dien-11-yl]-

CAS

164655-89-4

PubChem CID

133655755

SMILES

C[C@@]12C[C@H](C3=C4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@@]2(COC)OC)C5=CC=C(C=C5)C=O

分子式

C28H34O4

分子量

434.576

精确分子量

434.2457

InChI

InChI=1S/C28H34O4/c1-27-15-24(19-6-4-18(16-29)5-7-19)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,32-3)17-31-2/h4-7,14,16,23-25H,8-13,15,17H2,1-3H3/t23-,24+,25-,27-,28+/m1/s1

InChIKey

JOYXONJOXSOMGB-OCINJLECSA-N

LogP

5.4302

TPSA

52.6