InChI=1S/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H3/t16-,17-,18-,19+,20-,21-,22-,23+/m0/s1

【InChIKey】

InChIKey=GFHOQCXDABGYAL-POBGKJHXSA-N

【SMILES】

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C

【MOL File】

ALLOPREGNANOLONE ACE….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:0

H bond acceptor:3

XLogP3:4.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

【WGK Germany】

4CML File

ALLOPREGNANOLONE ACETATE.cml

Quick Release

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906-83-2 ALLOPREGNANOLONE ACETATE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】