Chemistry:Penniclavine

Penniclavine

Names
IUPAC name 8β-(Hydroxymethyl)-6-methyl-9,10-didehydroergolin-8α-ol
Systematic IUPAC name (6aR,9S)-9-(Hydroxymethyl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-ol
Identifiers
CAS Number	519-13-1 Y
3D model (JSmol)	Interactive image
ChemSpider	103117
PubChem CID	115247
UNII	28Z5OY3SFA Y
InChI InChI=1S/C16H18N2O2/c1-18-8-16(20,9-19)6-12-11-3-2-4-13-15(11)10(7-17-13)5-14(12)18/h2-4,6-7,14,17,19-20H,5,8-9H2,1H3/t14-,16+/m1/s1 Key: KCHBNRCSCHMJFD-ZBFHGGJFSA-N InChI=1/C16H18N2O2/c1-18-8-16(20,9-19)6-12-11-3-2-4-13-15(11)10(7-17-13)5-14(12)18/h2-4,6-7,14,17,19-20H,5,8-9H2,1H3/t14-,16+/m1/s1 Key: KCHBNRCSCHMJFD-ZBFHGGJFBY
SMILES OC[C@]3(O)/C=C2/c4cccc1c4c(c[nH]1)C[C@H]2N(C3)C
Properties
Chemical formula	C16H18N2O2
Molar mass	270.332 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Tracking categories (test):

• SizeSet

Penniclavine is an ergot alkaloid.