| Properties | Image |
|---|
| MNX_ID | MNXM1138181 |
 |
| reference | envipathM:...c99a7516ff4a |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | RIPOLBSMBRSIKA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-18-24-34-46-52(67-46)43(57)31-23-20-21-25-35-49(59)63-39-41(65-50(60)36-26-19-16-14-12-10-8-9-11-13-15-17-22-29-37-55)40-64-54(62)44(58)32-28-27-30-42(56)51(61)53-48(68-53)38-47-45(66-47)33-6-4-2/h8-9,13,15,18,24,41-48,51-53,55-58,61H,3-7,10-12,14,16-17,19-23,25-40H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)C(O)CCCCC(O)C(O)C1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-18-24-34-46-52(67-46)43(57)31-23-20-21-25-35-49(59)63-39-41(65-50(60)36-26-19-16-14-12-10-8-9-11-13-15-17-22-29-37-55)40-64-54(62)44(58)32-28-27-30-42(56)51(61)53-48(68-53)38-47-45(66-47)33-6-4-2/h8-9,13,15,18,24,41-48,51-53,55-58,61H,3-7,10-12,14,16-17,19-23,25-40H2,1-2H3/b9-8?,15-13?,24-18?/t41?,42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:18]=[CH:24][CH2:34][CH:46]1[CH:52]([CH:43]([CH2:31][CH2:23][CH2:20][CH2:21][CH2:25][CH2:35][C:49](=[O:59])[O:63][CH2:39][CH:41]([CH2:40][O:64][C:54]([CH:44]([CH2:32][CH2:28][CH2:27][CH2:30][CH:42]([CH:51]([CH:53]2[CH:48]([CH2:38][CH:47]3[CH:45]([CH2:33][CH2:6][CH2:4][CH3:2])[O:66]3)[O:68]2)[OH:61])[OH:56])[OH:58])=[O:62])[O:65][C:50]([CH2:36][CH2:26][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:22][CH2:29][CH2:37][OH:55])=[O:60])[OH:57])[O:67]1 |
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