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Argutin G

PropertiesImage
MNX_IDMNXM102826 Image of MNXM102826
referencechebi:70238
formulaC34H48O11
global charge0
mol weight632.747
InChIKeySHPSAYQITLDCQK-SVPIXTTASA-N
InChIInChI=1S/C34H48O11/c1-8-10-11-12-13-14-15-16-28(37)43-24-17-25-31(41-22(5)35)44-32(42-23(6)36)34(25)27(18-24)33(7,21(4)29(38)30(34)39)19-26(45-40)20(3)9-2/h9,13-17,21,24,26-27,29-32,38-40H,2-3,8,10-12,18-19H2,1,4-7H3/b14-13+,16-15-/t21-,24+,26+,27+,29-,30-,31+,32-,33-,34-/m1/s1
SMILESC=CC(=C)[C@H](C[C@]1(C)[C@H](C)[C@@H](O)[C@@H](O)[C@@]23C(=C[C@H](OC(=O)/C=C\C=C\CCCCC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O)OO
MNX internals
InChI (mnx)InChI=1/C34H48O11/c1-8-10-11-12-13-14-15-16-28(37)43-24-17-25-31(41-22(5)35)44-32(42-23(6)36)34(25)27(18-24)33(7,21(4)29(38)30(34)39)19-26(45-40)20(3)9-2/h9,13-17,21,24,26-27,29-32,38-40H,2-3,8,10-12,18-19H2,1,4-7H3/b14-13+,16-15-/t21-,24+,26+,27+,29-,30-,31+,32-,33-,34-/m1/s1 Image of MNXM102826
SMILES (mnx)[CH3:1][CH2:8][CH2:10][CH2:11][CH2:12]/[CH:13]=[CH:14]/[CH:15]=[CH:16]\[C:28](=[O:37])[O:43][C@H:24]1[CH:17]=[C:25]2[C@@H:31]([O:41][C:22]([CH3:5])=[O:35])[O:44][C@@H:32]([O:42][C:23]([CH3:6])=[O:36])[C@@:34]23[C@@H:27]([CH2:18]1)[C@:33]([CH3:7])([CH2:19][C@@H:26]([C:20](=[CH2:3])[CH:9]=[CH2:2])[O:45][OH:40])[C@H:21]([CH3:4])[C@@H:29]([OH:38])[C@H:30]3[OH:39]
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:70238
chebi:70238
SHPSAYQITLDCQK-SVPIXTTASA-N 		Argutin G
(2R,5S,6S,7R,8S,9S,10S,12S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2-[(2'Z,4'E)-decadienoyloxy]-6,7-dihydroxy-12-hydroperoxycleroda-3,13(16),14-triene