化合物学術情報
Foetidinol-3-O-β-xyloside
(ネオシミシド)

分子式 C32H48O9
平均分子量 576.7
精密分子量 576.3298 
[M+H]+   
[M-H]-   
CAS 161097-79-6
NIKKAJI J737.780K
PUBCHEM No. 10008346
関連生薬 升麻
IUPAC_NAME (2S,4aR,5aS,6S,7aR,7bR,8R,11R,11aR,12aR,14aR)-1,2,3,4,6,7,7a,7b,8,9,11,11a,12,12a,14,14a-hexadecahydro-6,11,11a-trihydroxy-1,1,7a,8,12a-pentamethyl-2-(β-D-xylopyranosyloxy)-5H,10H-Cycloprop[e]indeno[2,1-a]phenanthren-10-one
備考 This compound was isolated and identified from Cimicifuga foetida in INM (original paper 1, original paper 2*).
* Li J. X., Kadota S., Li H. Y., Miyahara T., Namba T., J. Trad. Med., 13, 50–58 (1996).
InChIKey: XAOFACFLIBLCBM-UKBVKWQQSA-N