| Properties | Image |
|---|
| MNX_ID | MNXM1178450 |
 |
| reference | envipathM:...b2735fa864aa |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | XFNKJBLSJUYTRL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-10-12-13-16-23-31-44(56)46(58)33-26-21-29-38-53(61)65-42(41-64-54(62)47(59)34-25-20-19-24-32-45(57)43(55)30-22-15-11-8-5-2)40-63-52(60)37-28-18-14-17-27-36-49-51(67-49)39-50-48(66-50)35-9-6-3/h12-13,15,22,42-51,55-59H,4-11,14,16-21,23-41H2,1-3H3 |
| SMILES | CCCCC=CCCCC(O)C(O)CCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCCC(O)C(O)CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-10-12-13-16-23-31-44(56)46(58)33-26-21-29-38-53(61)65-42(41-64-54(62)47(59)34-25-20-19-24-32-45(57)43(55)30-22-15-11-8-5-2)40-63-52(60)37-28-18-14-17-27-36-49-51(67-49)39-50-48(66-50)35-9-6-3/h12-13,15,22,42-51,55-59H,4-11,14,16-21,23-41H2,1-3H3/b13-12?,22-15?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:16][CH2:23][CH2:31][CH:44]([CH:46]([CH2:33][CH2:26][CH2:21][CH2:29][CH2:38][C:53](=[O:61])[O:65][CH:42]([CH2:40][O:63][C:52]([CH2:37][CH2:28][CH2:18][CH2:14][CH2:17][CH2:27][CH2:36][CH:49]1[CH:51]([CH2:39][CH:50]2[CH:48]([CH2:35][CH2:9][CH2:6][CH3:3])[O:66]2)[O:67]1)=[O:60])[CH2:41][O:64][C:54]([CH:47]([CH2:34][CH2:25][CH2:20][CH2:19][CH2:24][CH2:32][CH:45]([CH:43]([CH2:30][CH:22]=[CH:15][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:57])[OH:59])=[O:62])[OH:58])[OH:56] |
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