| Properties | Image |
|---|
| MNX_ID | MNXM1182387 |
 |
| reference | envipathM:...c189e5122997 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | QNLHBDFTUJKWFO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-28-38-52(61)65-43(40-63-50(59)36-26-22-20-24-32-44(56)53(62)45(57)34-29-31-42(55)30-6-3)41-64-51(60)37-27-23-21-25-33-46(58)54-49(67-54)39-48-47(66-48)35-8-5-2/h10-11,13-14,42-49,53-58,62H,4-9,12,15-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C(O)C(O)CCCC(O)CCC)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-28-38-52(61)65-43(40-63-50(59)36-26-22-20-24-32-44(56)53(62)45(57)34-29-31-42(55)30-6-3)41-64-51(60)37-27-23-21-25-33-46(58)54-49(67-54)39-48-47(66-48)35-8-5-2/h10-11,13-14,42-49,53-58,62H,4-9,12,15-41H2,1-3H3/b11-10?,14-13?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:28][CH2:38][C:52](=[O:61])[O:65][CH:43]([CH2:40][O:63][C:50]([CH2:36][CH2:26][CH2:22][CH2:20][CH2:24][CH2:32][CH:44]([CH:53]([CH:45]([CH2:34][CH2:29][CH2:31][CH:42]([CH2:30][CH2:6][CH3:3])[OH:55])[OH:57])[OH:62])[OH:56])=[O:59])[CH2:41][O:64][C:51]([CH2:37][CH2:27][CH2:23][CH2:21][CH2:25][CH2:33][CH:46]([CH:54]1[CH:49]([CH2:39][CH:48]2[CH:47]([CH2:35][CH2:8][CH2:5][CH3:2])[O:66]2)[O:67]1)[OH:58])=[O:60] |
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