3,5-di-O-acetyl-1-O-[(5beta,8alpha,9beta,10alpha)-18-oxokaur-16-en-18-yl]-beta-L-arabinofuranose

Properties Image MNX_ID MNXM101776 reference chebi:65753 formula C29H42O8 global charge 0 mol weight 518.647 InChIKey NDNXVUYCJZMRRS-USRICQPJSA-N InChI InChI=1S/C29H42O8/c1-16-13-29-12-9-21-27(4,22(29)8-7-19(16)14-29)10-6-11-28(21,5)26(33)37-25-23(32)24(35-18(3)31)20(36-25)15-34-17(2)30/h19-25,32H,1,6-15H2,2-5H3/t19-,20+,21+,22+,23-,24+,25-,27-,28-,29-/m1/s1 SMILES C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O[C@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H]4O)[C@@H]2CC[C@@H]1C3 MNX internals InChI (mnx) InChI=1/C29H42O8/c1-16-13-29-12-9-21-27(4,22(29)8-7-19(16)14-29)10-6-11-28(21,5)26(33)37-25-23(32)24(35-18(3)31)20(36-25)15-34-17(2)30/h19-25,32H,1,6-15H2,2-5H3/t19-,20+,21+,22+,23-,24+,25-,27-,28-,29-/m1/s1 SMILES (mnx) [CH2:1]=[C:16]1[CH2:13][C@@:29]23[CH2:12][CH2:9][C@H:21]4[C@@:27]([CH3:4])([CH2:10][CH2:6][CH2:11][C@@:28]4([CH3:5])[C:26](=[O:33])[O:37][C@@H:25]4[C@H:23]([OH:32])[C@@H:24]([O:35][C:18]([CH3:3])=[O:31])[C@H:20]([CH2:15][O:34][C:17]([CH3:2])=[O:30])[O:36]4)[C@@H:22]2[CH2:8][CH2:7][C@@H:19]1[CH2:14]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0