InChI=1S/C22H28O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1

【InChIKey】

InChIKey=VQHQLBARMFAKSV-AANPDWTMSA-N

【SMILES】

CC(=O)Oc1ccc2c(c1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)C)C

【MOL File】

17-BETA-ESTRADIOL 3,….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:0

H bond acceptor:4

XLogP3:5.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

17-BETA-ESTRADIOL 3,17-DIACETATE.cml

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3434-88-6 17-BETA-ESTRADIOL 3,17-DIACETATE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】