InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1

【InChIKey】

InChIKey=SIGSPDASOTUPFS-XUDSTZEESA-N

【SMILES】

CC[C@]12CC[C@H]3[C@H]([C@@H]1C=C[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34

【MOL File】

GESTODENE.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:1

H bond acceptor:2

XLogP3:3.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

【Safety informationSymbol】

GHS08

【hazard symbol】

【Risk Code】

【Safe Code】

36/37

【WGK Germany】

4CML File

GESTODENE.cml

Quick Release

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60282-87-3 GESTODENE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】