中文别名
新穿心莲内酯苷元(P)
英文别名
19-hydroxy-8(17),13-ent-labdadien-15->16 lactone2(5H)-Furanone,3-(2-((1R,4aS,5R,8aS)-decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethyl)UNII-89M92UDM183,14-DideoxyandrographolideANDROGRAPANINANDROGRAPANIN(SH)14-DEOXYANDROGRAPHOLIDE2(5H)-Furanone, 3-[2-[(1R,4aS,5R,8aS)-decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-ent-19-Hydroxy-8(17),13-labdadien-16,15-olide3-[2-[(1R,4aS,5R,8aS)-Decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-2(5H)-furanone
CAS
82209-74-3
Inchi
InChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)10-4-11-20(17,3)16(14)7-6-15-9-12-23-18(15)22/h9,16-17,21H,1,4-8,10-13H2,2-3H3/t16-,17-,19+,20+/m1/s1
InChIkey
WKKBRRFSRMDTJB-JYBIWHBTSA-N
Canonical Smiles
C[C@]1(CCC[C@@]2([C@@H]1CCC(=C)[C@H]2CCC3=CCOC3=O)C)CO
国际化联命名
4-[2-[(1R,4aS,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
密度：1.09
熔点：106-107℃
沸点：468.7±18.0 °C(Predicted)
PSA：46.53000
logP：4.02100
酸度系数（pka）：14.96±0.10(Predicted)
