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cardivin C

PropertiesImage
MNX_IDMNXM103516 Image of MNXM103516
referencechebi:65578
formulaC24H34O9
global charge0
mol weight466.527
InChIKeyXWZYMNOGYGCQNQ-WFRDMGJCSA-N
InChIInChI=1S/C24H34O9/c1-8-12(4)22(28)33-20-19-16(14(6)23(29)32-19)18(31-21(27)11(2)3)17(26)13(5)9-15(25)10-24(20,7)30/h8,11,13,15-16,18-20,25,30H,6,9-10H2,1-5,7H3/b12-8-/t13-,15-,16-,18-,19+,20-,24-/m0/s1
SMILESC=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)C)C(=O)[C@@H](C)C[C@H](O)C[C@](C)(O)[C@H]2OC(=O)/C(C)=C\C
MNX internals
InChI (mnx)InChI=1/C24H34O9/c1-8-12(4)22(28)33-20-19-16(14(6)23(29)32-19)18(31-21(27)11(2)3)17(26)13(5)9-15(25)10-24(20,7)30/h8,11,13,15-16,18-20,25,30H,6,9-10H2,1-5,7H3/b12-8-/t13-,15-,16-,18-,19+,20-,24-/m0/s1 Image of MNXM103516
SMILES (mnx)[CH3:1]/[CH:8]=[C:12](/[CH3:4])[C:22](=[O:28])[O:33][C@H:20]1[C@H:19]2[C@@H:16]([C:14](=[CH2:6])[C:23](=[O:29])[O:32]2)[C@H:18]([O:31][C:21]([CH:11]([CH3:2])[CH3:3])=[O:27])[C:17](=[O:26])[C@@H:13]([CH3:5])[CH2:9][C@H:15]([OH:25])[CH2:10][C@:24]1([CH3:7])[OH:30]
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:65578
chebi:65578
XWZYMNOGYGCQNQ-WFRDMGJCSA-N 		cardivin C
(3aR,4S,6S,8S,10S,11S,11aR)-8,10-dihydroxy-6,10-dimethyl-3-methylidene-4-[(2-methylpropanoyl)oxy]-2,5-dioxododecahydrocyclodeca[b]furan-11-yl (2Z)-2-methylbut-2-enoate
2,10-dihydroxy-5-oxo-6-(isobutyloxy)-9-(angeloyloxy)-germacran-8,12-olide