Catalog Number:
AG00CHM6
Chemical Name:
Sipeimine-3β-D-glucoside
CAS Number:
32685-93-1
Molecular Formula:
C33H53NO8
Molecular Weight:
591.7758
MDL Number:
MFCD23379933
IUPAC Name:
(1R,2S,6S,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10-hydroxy-6,10,23-trimethyl-20-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
InChI:
InChI=1S/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18+,19+,20-,21-,22-,23-,24+,26+,27-,28+,29-,30+,31+,32+,33-/m0/s1
InChI Key:
DHQFYEJMFMYGCV-RRIRULBESA-N
SMILES:
OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2)C(=O)C[C@@H]2[C@@H]3C[C@@H]3[C@H]2CC[C@H]2[C@H]3CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)C)[C@@H]([C@H]([C@@H]1O)O)O
UNII:
F85B5IO5AT
