| Properties | Image |
|---|
| MNX_ID | MNXM1195432 |
 |
| reference | envipathM:...5ab6e4c2fe14 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | XCJJTZWHZISXBG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-30-38-52(61)65-43(41-63-51(60)37-29-20-17-18-28-36-49-53(67-49)45(57)33-26-23-24-31-39-55)42-64-54(62)46(58)34-27-22-21-25-32-44(56)47(59)40-50-48(66-50)35-6-4-2/h8-9,11-12,26,33,39,43-50,53,56-59H,3-7,10,13-25,27-32,34-38,40-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C=CCCCC=O)COC(=O)C(O)CCCCCCC(O)C(O)CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-30-38-52(61)65-43(41-63-51(60)37-29-20-17-18-28-36-49-53(67-49)45(57)33-26-23-24-31-39-55)42-64-54(62)46(58)34-27-22-21-25-32-44(56)47(59)40-50-48(66-50)35-6-4-2/h8-9,11-12,26,33,39,43-50,53,56-59H,3-7,10,13-25,27-32,34-38,40-42H2,1-2H3/b9-8?,12-11?,33-26?/t43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:30][CH2:38][C:52](=[O:61])[O:65][CH:43]([CH2:41][O:63][C:51]([CH2:37][CH2:29][CH2:20][CH2:17][CH2:18][CH2:28][CH2:36][CH:49]1[CH:53]([CH:45]([CH:33]=[CH:26][CH2:23][CH2:24][CH2:31][CH:39]=[O:55])[OH:57])[O:67]1)=[O:60])[CH2:42][O:64][C:54]([CH:46]([CH2:34][CH2:27][CH2:22][CH2:21][CH2:25][CH2:32][CH:44]([CH:47]([CH2:40][CH:50]1[CH:48]([CH2:35][CH2:6][CH2:4][CH3:2])[O:66]1)[OH:59])[OH:56])[OH:58])=[O:62] |
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