| Properties | Image |
|---|
| MNX_ID | MNXM1196630 |
 |
| reference | envipathM:...e70a6fdda9ab |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | YXNGSLHBYOGVCG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-32-39-49(58)65-42(41-64-54(62)45(57)35-29-25-26-31-38-47-46(66-47)37-30-21-11-8-5-2)40-63-53(61)44(56)34-28-24-23-27-33-43(55)50(59)51(60)52-48(67-52)36-9-6-3/h12-13,15-16,42-48,50-52,55-57,59-60H,4-11,14,17-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)C(O)CCCCCCC(O)C(O)C(O)C1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-32-39-49(58)65-42(41-64-54(62)45(57)35-29-25-26-31-38-47-46(66-47)37-30-21-11-8-5-2)40-63-53(61)44(56)34-28-24-23-27-33-43(55)50(59)51(60)52-48(67-52)36-9-6-3/h12-13,15-16,42-48,50-52,55-57,59-60H,4-11,14,17-41H2,1-3H3/b13-12?,16-15?/t42?,43?,44?,45?,46?,47?,48?,50?,51?,52? |
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| 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][CH2:32][CH2:39][C:49](=[O:58])[O:65][CH:42]([CH2:40][O:63][C:53]([CH:44]([CH2:34][CH2:28][CH2:24][CH2:23][CH2:27][CH2:33][CH:43]([CH:50]([CH:51]([CH:52]1[CH:48]([CH2:36][CH2:9][CH2:6][CH3:3])[O:67]1)[OH:60])[OH:59])[OH:55])[OH:56])=[O:61])[CH2:41][O:64][C:54]([CH:45]([CH2:35][CH2:29][CH2:25][CH2:26][CH2:31][CH2:38][CH:47]1[CH:46]([CH2:37][CH2:30][CH2:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:57])=[O:62] |
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