| Properties | Image |
|---|
| MNX_ID | MNXM1186028 |
 |
| reference | envipathM:...6d8ed0541d3d |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | UKGKZLFWOXLWPN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-21-26-34-45(58)54(61)64-41(40-63-53(60)44(57)33-28-24-27-32-42(55)51-47(66-51)36-29-20-11-8-5-2)39-62-50(59)37-30-23-22-25-31-43(56)52-49(67-52)38-48-46(65-48)35-9-6-3/h12-13,15-16,41-49,51-52,55-58H,4-11,14,17-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCC(O)C1OC1CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-21-26-34-45(58)54(61)64-41(40-63-53(60)44(57)33-28-24-27-32-42(55)51-47(66-51)36-29-20-11-8-5-2)39-62-50(59)37-30-23-22-25-31-43(56)52-49(67-52)38-48-46(65-48)35-9-6-3/h12-13,15-16,41-49,51-52,55-58H,4-11,14,17-40H2,1-3H3/b13-12?,16-15?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,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][CH2:21][CH2:26][CH2:34][CH:45]([C:54](=[O:61])[O:64][CH:41]([CH2:39][O:62][C:50]([CH2:37][CH2:30][CH2:23][CH2:22][CH2:25][CH2:31][CH:43]([CH:52]1[CH:49]([CH2:38][CH:48]2[CH:46]([CH2:35][CH2:9][CH2:6][CH3:3])[O:65]2)[O:67]1)[OH:56])=[O:59])[CH2:40][O:63][C:53]([CH:44]([CH2:33][CH2:28][CH2:24][CH2:27][CH2:32][CH:42]([CH:51]1[CH:47]([CH2:36][CH2:29][CH2:20][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:55])[OH:57])=[O:60])[OH:58] |
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