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Argutin D

PropertiesImage
MNX_IDMNXM102823 Image of MNXM102823
referencechebi:70235
formulaC34H48O9
global charge0
mol weight600.749
InChIKeyDVAVLSBNVPVRBI-DEHQYFKSSA-N
InChIInChI=1S/C34H48O9/c1-8-10-11-12-13-14-15-16-28(38)42-30-29(39)22(4)33(7,18-17-21(3)9-2)27-20-25(37)19-26-31(40-23(5)35)43-32(34(26,27)30)41-24(6)36/h9,13-17,19,22,25,27,29-32,37,39H,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](OC(=O)/C=C\C=C\CCCCC)[C@@]23C(=C[C@H](O)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(38)42-30-29(39)22(4)33(7,18-17-21(3)9-2)27-20-25(37)19-26-31(40-23(5)35)43-32(34(26,27)30)41-24(6)36/h9,13-17,19,22,25,27,29-32,37,39H,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 MNXM102823
SMILES (mnx)[CH3:1][CH2:8][CH2:10][CH2:11][CH2:12]/[CH:13]=[CH:14]/[CH:15]=[CH:16]\[C:28](=[O:38])[O:42][C@@H:30]1[C@H:29]([OH:39])[C@@H:22]([CH3:4])[C@@:33]([CH3:7])([CH2:18]/[CH:17]=[C:21](\[CH3:3])[CH:9]=[CH2:2])[C@@H:27]2[CH2:20][C@@H:25]([OH:37])[CH:19]=[C:26]3[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]321
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:70235
chebi:70235
DVAVLSBNVPVRBI-DEHQYFKSSA-N 		Argutin D
(2R,5S,6S,7R,8S,9S,10S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2,7-dihydroxy-6-[(2'Z,4'E)-decadienoyloxy]cleroda-3,12(E),14-triene