Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

3-acetyl-7-tigloylvilasinin lactone

PropertiesImageOccurences in reactions
MNX_IDMNXM101803Image of MNXM101803
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC33H44O9
charge0
mass584.29853
referencechebi:67294
InChIKeyGWJBUONEPKDYGS-PPADEWLJSA-N
InChIInChI=1S/C33H44O9/c1-8-16(2)29(38)42-28-26-27-31(5,15-40-26)23(41-17(3)34)13-22(36)33(27,7)20-9-10-30(4)21(32(20,28)6)12-19(35)25(30)18-11-24(37)39-14-18/h8,12,18,20,22-23,25-28,36H,9-11,13-15H2,1-7H3/b16-8+/t18-,20+,22+,23-,25-,26-,27+,28-,30-,31-,32-,33+/m1/s1
SMILESC/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](O)[C@](C)([C@H]4CC[C@]5(C)C(=CC(=O)[C@H]5[C@H]5COC(=O)C5)[C@]14C)[C@@H]23
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:67294
chebi:67294 		3-acetyl-7-tigloylvilasinin lactone
(1S,3R,3aR,5aR,6S,6aR,9S,9aS,11aR,11bR,11cR)-3-(acetyloxy)-1-hydroxy-3a,6a,9a,11b-tetramethyl-8-oxo-9-[(3S)-5-oxotetrahydrofuran-3-yl]-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadecahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-6-yl (2E)-2-methylbut-2-enoate