Feedback

withalongolide E

PropertiesImageOccurences in reactions
MNX_IDMNXM113936Image of MNXM113936
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC29H42O8
charge0
mass518.28797
referencechebi:69110
InChIKeyJQCUJCHQCVDHTF-OAWRJLTLSA-N
InChIInChI=1S/C29H42O8/c1-13-8-20(36-26(34)16(13)12-30)14(2)17-6-7-18-15-9-23-29(37-23)25(33)21(35-5)10-22(32)28(29,4)24(15)19(31)11-27(17,18)3/h14-15,17-21,23-25,30-31,33H,6-12H2,1-5H3/t14-,15-,17+,18-,19-,20+,21-,23+,24+,25-,27+,28+,29-/m0/s1
SMILESCO[C@H]1CC(=O)[C@]2(C)[C@H]3[C@@H](O)C[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)[C@H]4CC(C)=C(CO)C(=O)O4)[C@@H]3C[C@H]3O[C@]32[C@H]1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:69110
chebi:69110
withalongolide E
(3beta,4beta,5beta,6beta,11beta,22R)-4,11,27-trihydroxy-3-methoxy-5,6:22,26-diepoxyergost-24-ene-1,26-dione