| Properties | Image |
MNX_ID | MNXM193134 |
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reference | slm:000121920 |
formula | C41H70O5 |
global charge | 0 |
mol weight | 643.006 |
InChIKey | OJNXMOKSIYDMSU-RVNOVSPJSA-N |
InChI | InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,39,42H,3-10,12,15,18,20-21,23,25-27,29,31-38H2,1-2H3/b13-11-,16-14+,19-17-,24-22-,30-28-/t39-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCC/C=C/CCCCCC |
MNX internals
InChI (mnx) | InChI=1/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,28,30,39,42H,3-10,12,15,18,20-21,23,25-27,29,31-38H2,1-2H3/b13-11-,16-14+,19-17-,24-22-,30-28-/t39-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32][CH2:34][CH2:36][C:41](=[O:44])[O:46][CH2:38][C@@H:39]([CH2:37][O:45][C:40]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:43])[OH:42] |
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