Catalog Number
ACM881388881
Product Name
Daphniyunnine b
Category
Heterocyclic Organic Compound
Molecular Formula
C21H29NO3
InChI
InChI=1S/C21H29NO3/c1-12-10-22-11-14-3-4-16(24)18-13(6-8-23)5-7-21(18)19(25)15(12)9-17(22)20(14,21)2/h12,14-15,17,23H,3-11H2,1-2H3/t12-,14-,15-,17-,20-,21+/m1/s1
InChI Key
XALHQXXUICHGPI-YSQOEHLKSA-N
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
6
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
1
Isomeric SMILES
C[C@@H]1CN2C[C@H]3CCC(=O)C4=C(CC[C@]45[C@]3([C@H]2C[C@H]1C5=O)C)CCO
Monoisotopic Mass
343.21474379
Physical Description
Powder
Topological Polar Surface Area
57.6 Ų