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compound 0248057

PropertiesImage
MNX_IDMNXM1191985 Image of MNXM1191985
referenceenvipathM:...35c06811b13e
formulaC29H41O11
global charge-1
mol weight565.636
InChIKeyZEVAMSAFPPCHSI-UHFFFAOYSA-M
InChIInChI=1S/C29H42O11/c1-15-24(34)25(35)38-14-23(39-15)40-18-6-8-26(2)17(11-18)4-5-20-28(36)9-7-19(16(13-30)10-22(32)33)27(28,3)21(31)12-29(20,26)37/h10,15,17-21,23,30-31,36-37H,4-9,11-14H2,1-3H3,(H,32,33)/p-1
SMILESCC1OC(OC2CCC3(C)C(CCC4C3(O)CC(O)C3(C)C(C(=CC(=O)[O-])CO)CCC43O)C2)COC(=O)C1=O
MNX internals
InChI (mnx)InChI=1/C29H42O11/c1-15-24(34)25(35)38-14-23(39-15)40-18-6-8-26(2)17(11-18)4-5-20-28(36)9-7-19(16(13-30)10-22(32)33)27(28,3)21(31)12-29(20,26)37/h10,15,17-21,23,30-31,36-37H,4-9,11-14H2,1-3H3,(H,32,33)/b16-10?/t15?,17?,18?,19?,20?,21?,23?,26?,27?,28?,29? Image of MNXM1191985
SMILES (mnx)[CH3:1][CH:15]1[C:24](=[O:34])[C:25](=[O:35])[O:38][CH2:14][CH:23]([O:40][CH:18]2[CH2:6][CH2:8][C:26]3([CH3:2])[CH:17]([CH2:4][CH2:5][CH:20]4[C:28]5([OH:36])[CH2:9][CH2:7][CH:19]([C:16](=[CH:10][C:22](=[O:32])[OH:33])[CH2:13][OH:30])[C:27]5([CH3:3])[CH:21]([OH:31])[CH2:12][C:29]43[OH:37])[CH2:11]2)[O:39]1
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

envipath:...35c06811b13e
envipathM:...35c06811b13e
ZEVAMSAFPPCHSI-UHFFFAOYSA-M
compound 0248057