| Properties | Image |
MNX_ID | MNXM338540 |
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reference | slm:000119144 |
formula | C37H64O5 |
global charge | 0 |
mol weight | 588.914 |
InChIKey | YGSDJGADNHNVNS-YUOYCBLWSA-N |
InChI | InChI=1S/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,10-13,16-17,35,38H,3-4,6,8-9,14-15,18-34H2,1-2H3/b7-5-,12-10-,13-11-,17-16-/t35-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCC/C=C\CCCC |
MNX internals
InChI (mnx) | InChI=1/C37H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,10-13,16-17,35,38H,3-4,6,8-9,14-15,18-34H2,1-2H3/b7-5-,12-10-,13-11-,17-16-/t35-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:37](=[O:40])[O:42][CH2:34][C@@H:35]([CH2:33][O:41][C:36]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:39])[OH:38] |
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