| Properties | Image |
|---|
| MNX_ID | MNXM1174250 |
 |
| reference | envipathM:...f28c92d293fb |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | ZHCUASGHOHGBJV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-31-39-52(60)64-43(41-62-50(58)37-30-25-21-23-28-34-45(56)44(55)33-27-22-11-8-5-2)42-63-51(59)38-32-26-29-35-46(57)53(61)54-49(66-54)40-48-47(65-48)36-9-6-3/h12-13,15-16,22,27,43-44,46-49,53-55,57,61H,4-11,14,17-21,23-26,28-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(=O)C(O)CC=CCCCC)COC(=O)CCCCCC(O)C(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-31-39-52(60)64-43(41-62-50(58)37-30-25-21-23-28-34-45(56)44(55)33-27-22-11-8-5-2)42-63-51(59)38-32-26-29-35-46(57)53(61)54-49(66-54)40-48-47(65-48)36-9-6-3/h12-13,15-16,22,27,43-44,46-49,53-55,57,61H,4-11,14,17-21,23-26,28-42H2,1-3H3/b13-12?,16-15?,27-22?/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][CH2:24][CH2:31][CH2:39][C:52](=[O:60])[O:64][CH:43]([CH2:41][O:62][C:50]([CH2:37][CH2:30][CH2:25][CH2:21][CH2:23][CH2:28][CH2:34][C:45]([CH:44]([CH2:33][CH:27]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:56])=[O:58])[CH2:42][O:63][C:51]([CH2:38][CH2:32][CH2:26][CH2:29][CH2:35][CH:46]([CH:53]([CH:54]1[CH:49]([CH2:40][CH:48]2[CH:47]([CH2:36][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)[OH:61])[OH:57])=[O:59] |
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