| Properties | Image |
|---|
| MNX_ID | MNXM1185524 |
 |
| reference | envipathM:...f6029f523a0f |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | YNKDPCKMRWHNJX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-31-38-51(59)65-42(40-63-53(61)44(56)33-26-23-24-30-37-48-47(66-48)36-29-21-11-8-5-2)41-64-54(62)45(57)34-28-25-27-32-43(55)52(60)46(58)39-50-49(67-50)35-9-6-3/h12-13,15-16,21,29,42-50,52,55-58,60H,4-11,14,17-20,22-28,30-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)C(O)CCCCCCC1OC1CC=CCCCC)COC(=O)C(O)CCCCCC(O)C(O)C(O)CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-31-38-51(59)65-42(40-63-53(61)44(56)33-26-23-24-30-37-48-47(66-48)36-29-21-11-8-5-2)41-64-54(62)45(57)34-28-25-27-32-43(55)52(60)46(58)39-50-49(67-50)35-9-6-3/h12-13,15-16,21,29,42-50,52,55-58,60H,4-11,14,17-20,22-28,30-41H2,1-3H3/b13-12?,16-15?,29-21?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,52? |
 |
| 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:59])[O:65][CH:42]([CH2:40][O:63][C:53]([CH:44]([CH2:33][CH2:26][CH2:23][CH2:24][CH2:30][CH2:37][CH:48]1[CH:47]([CH2:36][CH:29]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:56])=[O:61])[CH2:41][O:64][C:54]([CH:45]([CH2:34][CH2:28][CH2:25][CH2:27][CH2:32][CH:43]([CH:52]([CH:46]([CH2:39][CH:50]1[CH:49]([CH2:35][CH2:9][CH2:6][CH3:3])[O:67]1)[OH:58])[OH:60])[OH:55])[OH:57])=[O:62] |
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