PASPALININE ,63722-91-8 _Chemical Cloud Database

PASPALININE

Basic Information
Product Name：	PASPALININE
CAS：	63722-91-8
English Synonyms：	PASPALININE
MDL Number.：	MFCD11983102
H bond acceptor：	5
H bond donor：	2
Smile：	CC1([C@@H]2C(=O)C=C3[C@@]4(CC[C@H]5Cc6c7ccccc7[nH]c6[C@@]5([C@]4(CC[C@]3(O2)O1)C)C)O)C
InChi：	InChI=1S/C27H31NO4/c1-23(2)22-19(29)14-20-26(30)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,31-22)32-23/h5-8,14-15,22,28,30H,9-13H2,1-4H3/t15-,22-,24+,25+,26+,27-/m0/s1
InChiKey：	InChIKey=BPTIXFRJAOKMRK-SAMRHTEJSA-N

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