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3alpha-Acetoxymaoesin A, (rel)-

PropertiesImage
MNX_IDMNXM101893 Image of MNXM101893
referencechebi:70363
formulaC24H30O10
global charge0
mol weight478.494
InChIKeyWSLLKHLHBNYZFR-ADFKFDKLSA-N
InChIInChI=1S/C24H30O10/c1-10-13-5-14-17-23(7-13,19(10)28)21(30)34-16-6-15(32-12(3)27)22(4,9-31-11(2)26)18(20(29)33-14)24(16,17)8-25/h13-18,20,25,29H,1,5-9H2,2-4H3/t13-,14+,15+,16+,17+,18+,20-,22+,23-,24-/m0/s1
SMILESC=C1C(=O)[C@@]23C[C@@H]1C[C@H]1O[C@H](O)[C@@H]4[C@](C)(COC(C)=O)[C@H](OC(C)=O)C[C@@H](OC2=O)[C@@]4(CO)[C@H]13
MNX internals
InChI (mnx)InChI=1/C24H30O10/c1-10-13-5-14-17-23(7-13,19(10)28)21(30)34-16-6-15(32-12(3)27)22(4,9-31-11(2)26)18(20(29)33-14)24(16,17)8-25/h13-18,20,25,29H,1,5-9H2,2-4H3/t13-,14+,15+,16+,17+,18+,20-,22+,23-,24-/m0/s1 Image of MNXM101893
SMILES (mnx)[CH2:1]=[C:10]1[C@H:13]2[CH2:5][C@@H:14]3[C@@H:17]4[C@@:23]([CH2:7]2)([C:19]1=[O:28])[C:21](=[O:30])[O:34][C@@H:16]1[CH2:6][C@@H:15]([O:32][C:12]([CH3:3])=[O:27])[C@@:22]([CH3:4])([CH2:9][O:31][C:11]([CH3:2])=[O:26])[C@@H:18]([C@@H:20]([OH:29])[O:33]3)[C@@:24]14[CH2:8][OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:70363
chebi:70363
WSLLKHLHBNYZFR-ADFKFDKLSA-N
3alpha-Acetoxymaoesin A, (rel)-
rel-3alpha,19-diacetoxy-6alpha,20-dihydroxy-6,11beta-epoxy-15-oxo-6,7-seco-ent-kaur-16-en-1beta,7-olide