| Properties | Image |
|---|
| MNX_ID | MNXM1191128 |
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| reference | envipathM:...bfff5c32f84c |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | HDZTYAJKISFVPP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-26-37-52(60)64-43(40-62-51(59)36-25-20-17-18-24-34-47-50(66-47)39-49-46(65-49)33-6-4-2)41-63-54(61)45(58)32-23-21-22-31-44(57)53-48(67-53)35-27-29-42(56)30-28-38-55/h11-12,27,29,42-50,53,55-58H,3-10,13-26,28,30-41H2,1-2H3 |
| SMILES | CCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCC(O)C1OC1CC=CC(O)CCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-26-37-52(60)64-43(40-62-51(59)36-25-20-17-18-24-34-47-50(66-47)39-49-46(65-49)33-6-4-2)41-63-54(61)45(58)32-23-21-22-31-44(57)53-48(67-53)35-27-29-42(56)30-28-38-55/h11-12,27,29,42-50,53,55-58H,3-10,13-26,28,30-41H2,1-2H3/b12-11?,29-27?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:8][CH2:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:26][CH2:37][C:52](=[O:60])[O:64][CH:43]([CH2:40][O:62][C:51]([CH2:36][CH2:25][CH2:20][CH2:17][CH2:18][CH2:24][CH2:34][CH:47]1[CH:50]([CH2:39][CH:49]2[CH:46]([CH2:33][CH2:6][CH2:4][CH3:2])[O:65]2)[O:66]1)=[O:59])[CH2:41][O:63][C:54]([CH:45]([CH2:32][CH2:23][CH2:21][CH2:22][CH2:31][CH:44]([CH:53]1[CH:48]([CH2:35][CH:27]=[CH:29][CH:42]([CH2:30][CH2:28][CH2:38][OH:55])[OH:56])[O:67]1)[OH:57])[OH:58])=[O:61] |
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