| Properties | Image |
|---|
| MNX_ID | MNXM1139265 |
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| reference | envipathM:...6a1b1f1b98c4 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | NSYADCOIRJEGEL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-31-38-51(60)65-42(41-64-54(62)52(61)44(56)33-27-25-29-36-48-47(66-48)35-28-21-11-8-5-2)40-63-50(59)37-30-24-23-26-34-45(57)53-49(67-53)39-46(58)43(55)32-9-6-3/h12-13,15-16,42-49,52-53,55-58,61H,4-11,14,17-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC(O)C(O)CCCC)COC(=O)C(O)C(O)CCCCCC1OC1CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-31-38-51(60)65-42(41-64-54(62)52(61)44(56)33-27-25-29-36-48-47(66-48)35-28-21-11-8-5-2)40-63-50(59)37-30-24-23-26-34-45(57)53-49(67-53)39-46(58)43(55)32-9-6-3/h12-13,15-16,42-49,52-53,55-58,61H,4-11,14,17-41H2,1-3H3/b13-12?,16-15?/t42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:31][CH2:38][C:51](=[O:60])[O:65][CH:42]([CH2:40][O:63][C:50]([CH2:37][CH2:30][CH2:24][CH2:23][CH2:26][CH2:34][CH:45]([CH:53]1[CH:49]([CH2:39][CH:46]([CH:43]([CH2:32][CH2:9][CH2:6][CH3:3])[OH:55])[OH:58])[O:67]1)[OH:57])=[O:59])[CH2:41][O:64][C:54]([CH:52]([CH:44]([CH2:33][CH2:27][CH2:25][CH2:29][CH2:36][CH:48]1[CH:47]([CH2:35][CH2:28][CH2:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:56])[OH:61])=[O:62] |
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