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Argutin C

PropertiesImage
MNX_IDMNXM102822 Image of MNXM102822
referencechebi:70234
formulaC34H48O9
global charge0
mol weight600.749
InChIKeySYVLIZAFBWNVCK-DEHQYFKSSA-N
InChIInChI=1S/C34H48O9/c1-8-10-11-12-13-14-15-16-28(37)42-25-19-26-31(40-23(5)35)43-32(41-24(6)36)34(26)27(20-25)33(7,18-17-21(3)9-2)22(4)29(38)30(34)39/h9,13-17,19,22,25,27,29-32,38-39H,2,8,10-12,18,20H2,1,3-7H3/b14-13+,16-15-,21-17+/t22-,25+,27+,29-,30-,31+,32-,33-,34-/m1/s1
SMILESC=C/C(C)=C/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
MNX internals
InChI (mnx)InChI=1/C34H48O9/c1-8-10-11-12-13-14-15-16-28(37)42-25-19-26-31(40-23(5)35)43-32(41-24(6)36)34(26)27(20-25)33(7,18-17-21(3)9-2)22(4)29(38)30(34)39/h9,13-17,19,22,25,27,29-32,38-39H,2,8,10-12,18,20H2,1,3-7H3/b14-13+,16-15-,21-17+/t22-,25+,27+,29-,30-,31+,32-,33-,34-/m1/s1 Image of MNXM102822
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:42][C@H:25]1[CH:19]=[C:26]2[C@@H:31]([O:40][C:23]([CH3:5])=[O:35])[O:43][C@@H:32]([O:41][C:24]([CH3:6])=[O:36])[C@@:34]23[C@@H:27]([CH2:20]1)[C@:33]([CH3:7])([CH2:18]/[CH:17]=[C:21](\[CH3:3])[CH:9]=[CH2:2])[C@H:22]([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:70234
chebi:70234
SYVLIZAFBWNVCK-DEHQYFKSSA-N 		Argutin C
(2R,5S,6S,7R,8S,9S,10S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2-[(2'Z,4'E)-decadienoyloxy)-6,7-dihydroxy]cleroda-3,12(E),14-triene