| Properties | Image |
|---|
| MNX_ID | MNXM1173759 |
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| reference | envipathM:...0cc1b2e3863c |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | ZJSLKJPUMDPTLB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-9-24-33-45(57)53-49(67-53)36-27-22-21-26-34-46(58)54(62)64-41-43(65-52(61)38-29-19-15-13-11-10-12-14-17-23-31-42(55)30-6-3)40-63-51(60)37-28-20-16-18-25-32-44(56)47(59)39-50-48(66-50)35-8-5-2/h23-24,31,33,42-50,53,55-59H,4-22,25-30,32,34-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCCCCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-9-24-33-45(57)53-49(67-53)36-27-22-21-26-34-46(58)54(62)64-41-43(65-52(61)38-29-19-15-13-11-10-12-14-17-23-31-42(55)30-6-3)40-63-51(60)37-28-20-16-18-25-32-44(56)47(59)39-50-48(66-50)35-8-5-2/h23-24,31,33,42-50,53,55-59H,4-22,25-30,32,34-41H2,1-3H3/b31-23?,33-24?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:24]=[CH:33][CH:45]([CH:53]1[CH:49]([CH2:36][CH2:27][CH2:22][CH2:21][CH2:26][CH2:34][CH:46]([C:54](=[O:62])[O:64][CH2:41][CH:43]([CH2:40][O:63][C:51]([CH2:37][CH2:28][CH2:20][CH2:16][CH2:18][CH2:25][CH2:32][CH:44]([CH:47]([CH2:39][CH:50]2[CH:48]([CH2:35][CH2:8][CH2:5][CH3:2])[O:66]2)[OH:59])[OH:56])=[O:60])[O:65][C:52]([CH2:38][CH2:29][CH2:19][CH2:15][CH2:13][CH2:11][CH2:10][CH2:12][CH2:14][CH2:17][CH:23]=[CH:31][CH:42]([CH2:30][CH2:6][CH3:3])[OH:55])=[O:61])[OH:58])[O:67]1)[OH:57] |
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