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cardivin B

PropertiesImage
MNX_IDMNXM103515 Image of MNXM103515
referencechebi:65577
formulaC24H36O9
global charge0
mol weight468.543
InChIKeyPQWUSRCSCCYNSK-FBXXSWLTSA-N
InChIInChI=1S/C24H36O9/c1-8-12(4)22(28)31-18-16-14(6)23(29)32-19(16)20(33-21(27)11(2)3)24(7,30)10-15(25)9-13(5)17(18)26/h11-13,15-16,18-20,25,30H,6,8-10H2,1-5,7H3/t12?,13-,15-,16-,18-,19+,20-,24-/m0/s1
SMILESC=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)CC)C(=O)[C@@H](C)C[C@H](O)C[C@](C)(O)[C@H]2OC(=O)C(C)C
MNX internals
InChI (mnx)InChI=1/C24H36O9/c1-8-12(4)22(28)31-18-16-14(6)23(29)32-19(16)20(33-21(27)11(2)3)24(7,30)10-15(25)9-13(5)17(18)26/h11-13,15-16,18-20,25,30H,6,8-10H2,1-5,7H3/t12?,13-,15-,16-,18-,19+,20-,24-/m0/s1 Image of MNXM103515
SMILES (mnx)[CH3:1][CH2:8][CH:12]([CH3:4])[C:22](=[O:28])[O:31][C@H:18]1[C@@H:16]2[C:14](=[CH2:6])[C:23](=[O:29])[O:32][C@H:19]2[C@H:20]([O:33][C:21]([CH:11]([CH3:2])[CH3:3])=[O:27])[C@@:24]([CH3:7])([OH:30])[CH2:10][C@@H:15]([OH:25])[CH2:9][C@H:13]([CH3:5])[C:17]1=[O:26]
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:65577
chebi:65577
PQWUSRCSCCYNSK-FBXXSWLTSA-N 		cardivin B
(3aR,4S,6S,8S,10S,11S,11aR)-8,10-dihydroxy-6,10-dimethyl-3-methylidene-11-[(2-methylpropanoyl)oxy]-2,5-dioxododecahydrocyclodeca[b]furan-4-yl 2-methylbutanoate
2,10-dihydroxy-5-oxo-6-[(2-methylbutyl)oxy]-9-(isobutyloxy)germacran-8,12-olide