| Properties | Image |
|---|
| MNX_ID | MNXM1197476 |
 |
| reference | envipathM:...f8bdfcb67d6e |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | KIEXTQQQVYGQMM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-23-32-39-52(61)64-43(41-62-50(59)37-30-24-21-22-28-33-44(55)47(58)40-49-48(65-49)36-9-6-3)42-63-51(60)38-31-26-25-29-35-46(57)54-53(66-54)45(56)34-27-11-8-5-2/h12-13,15-16,43-44,46-49,53-55,57-58H,4-11,14,17-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)CCCCCCC(O)C1OC1C(=O)CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-23-32-39-52(61)64-43(41-62-50(59)37-30-24-21-22-28-33-44(55)47(58)40-49-48(65-49)36-9-6-3)42-63-51(60)38-31-26-25-29-35-46(57)54-53(66-54)45(56)34-27-11-8-5-2/h12-13,15-16,43-44,46-49,53-55,57-58H,4-11,14,17-42H2,1-3H3/b13-12?,16-15?/t43?,44?,46?,47?,48?,49?,53?,54? |
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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][CH2:20][CH2:23][CH2:32][CH2:39][C:52](=[O:61])[O:64][CH:43]([CH2:41][O:62][C:50]([CH2:37][CH2:30][CH2:24][CH2:21][CH2:22][CH2:28][CH2:33][CH:44]([CH:47]([CH2:40][CH:49]1[CH:48]([CH2:36][CH2:9][CH2:6][CH3:3])[O:65]1)[OH:58])[OH:55])=[O:59])[CH2:42][O:63][C:51]([CH2:38][CH2:31][CH2:26][CH2:25][CH2:29][CH2:35][CH:46]([CH:54]1[CH:53]([C:45]([CH2:34][CH2:27][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56])[O:66]1)[OH:57])=[O:60] |
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