| Properties | Image |
MNX_ID | MNXM215734 |
 |
reference | slm:000122617 |
formula | C42H74O5 |
global charge | 0 |
mol weight | 659.049 |
InChIKey | COBSKGMFVOZOGR-OUHKBQLJSA-N |
InChI | InChI=1S/C42H74O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-29-32-35-41(44)46-37-40(43)38-47-42(45)36-33-30-27-24-21-22-25-28-31-34-39(2)3/h8-9,11-12,14-15,17-18,39-40,43H,4-7,10,13,16,19-38H2,1-3H3/b9-8-,12-11-,15-14-,18-17-/t40-/m0/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCCC(C)C |
MNX internals
InChI (mnx) | InChI=1/C42H74O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-29-32-35-41(44)46-37-40(43)38-47-42(45)36-33-30-27-24-21-22-25-28-31-34-39(2)3/h8-9,11-12,14-15,17-18,39-40,43H,4-7,10,13,16,19-38H2,1-3H3/b9-8-,12-11-,15-14-,18-17-/t40-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:23][CH2:26][CH2:29][CH2:32][CH2:35][C:41](=[O:44])[O:46][CH2:37][C@@H:40]([CH2:38][O:47][C:42]([CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH:39]([CH3:2])[CH3:3])=[O:45])[OH:43] |
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