| Properties | Image |
|---|
| MNX_ID | MNXM1191671 |
 |
| reference | envipathM:...c29446f6d604 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | QECBMFZVXITYCH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-25-32-44(56)53(62)45(57)33-26-19-18-21-28-36-50(59)63-41-43(65-52(61)38-30-20-16-14-12-10-8-9-11-13-15-17-24-31-39-55)42-64-51(60)37-29-23-22-27-34-46(58)54-49(67-54)40-48-47(66-48)35-6-4-2/h8-9,13,15,43-49,53-58,62H,3-7,10-12,14,16-42H2,1-2H3 |
| SMILES | CCCCCCC(O)C(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-25-32-44(56)53(62)45(57)33-26-19-18-21-28-36-50(59)63-41-43(65-52(61)38-30-20-16-14-12-10-8-9-11-13-15-17-24-31-39-55)42-64-51(60)37-29-23-22-27-34-46(58)54-49(67-54)40-48-47(66-48)35-6-4-2/h8-9,13,15,43-49,53-58,62H,3-7,10-12,14,16-42H2,1-2H3/b9-8?,15-13?/t43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:25][CH2:32][CH:44]([CH:53]([CH:45]([CH2:33][CH2:26][CH2:19][CH2:18][CH2:21][CH2:28][CH2:36][C:50](=[O:59])[O:63][CH2:41][CH:43]([CH2:42][O:64][C:51]([CH2:37][CH2:29][CH2:23][CH2:22][CH2:27][CH2:34][CH:46]([CH:54]1[CH:49]([CH2:40][CH:48]2[CH:47]([CH2:35][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)[OH:58])=[O:60])[O:65][C:52]([CH2:38][CH2:30][CH2:20][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:24][CH2:31][CH2:39][OH:55])=[O:61])[OH:57])[OH:62])[OH:56] |
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