| Properties | Image |
|---|
| MNX_ID | MNXM1176801 |
 |
| reference | envipathM:...7c122d0ecc61 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | YTIJWYFJIMKXPV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-12-13-15-22-30-42(55)31-23-18-20-29-38-52(60)63-43(40-61-50(58)36-27-17-14-16-26-35-47-53(65-47)44(56)32-24-11-8-5-2)41-62-51(59)37-28-21-19-25-33-45(57)54-49(66-54)39-48-46(64-48)34-9-6-3/h12-13,24,32,42-49,53-57H,4-11,14-23,25-31,33-41H2,1-3H3 |
| SMILES | CCCCC=CCCCC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C=CCCCC)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-12-13-15-22-30-42(55)31-23-18-20-29-38-52(60)63-43(40-61-50(58)36-27-17-14-16-26-35-47-53(65-47)44(56)32-24-11-8-5-2)41-62-51(59)37-28-21-19-25-33-45(57)54-49(66-54)39-48-46(64-48)34-9-6-3/h12-13,24,32,42-49,53-57H,4-11,14-23,25-31,33-41H2,1-3H3/b13-12?,32-24?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:15][CH2:22][CH2:30][CH:42]([CH2:31][CH2:23][CH2:18][CH2:20][CH2:29][CH2:38][C:52](=[O:60])[O:63][CH:43]([CH2:40][O:61][C:50]([CH2:36][CH2:27][CH2:17][CH2:14][CH2:16][CH2:26][CH2:35][CH:47]1[CH:53]([CH:44]([CH:32]=[CH:24][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[O:65]1)=[O:58])[CH2:41][O:62][C:51]([CH2:37][CH2:28][CH2:21][CH2:19][CH2:25][CH2:33][CH:45]([CH:54]1[CH:49]([CH2:39][CH:48]2[CH:46]([CH2:34][CH2:9][CH2:6][CH3:3])[O:64]2)[O:66]1)[OH:57])=[O:59])[OH:55] |
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