| Properties | Image |
|---|
| MNX_ID | MNXM1197579 |
 |
| reference | envipathM:...c2f33eb66285 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | VOAJDLACIUKYAN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-32-39-52(60)64-43(41-62-51(59)38-31-24-20-22-30-37-49-48(65-49)36-29-21-10-8-5-2)42-63-54(61)46(57)35-28-26-25-27-34-44(55)47(58)40-50-53(66-50)45(56)33-6-3/h11-12,14-15,21,29,43,45,47-50,53,56,58H,4-10,13,16-20,22-28,30-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(=O)CCCCCCC(=O)C(O)CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-32-39-52(60)64-43(41-62-51(59)38-31-24-20-22-30-37-49-48(65-49)36-29-21-10-8-5-2)42-63-54(61)46(57)35-28-26-25-27-34-44(55)47(58)40-50-53(66-50)45(56)33-6-3/h11-12,14-15,21,29,43,45,47-50,53,56,58H,4-10,13,16-20,22-28,30-42H2,1-3H3/b12-11?,15-14?,29-21?/t43?,45?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:23][CH2:32][CH2:39][C:52](=[O:60])[O:64][CH:43]([CH2:41][O:62][C:51]([CH2:38][CH2:31][CH2:24][CH2:20][CH2:22][CH2:30][CH2:37][CH:49]1[CH:48]([CH2:36][CH:29]=[CH:21][CH2:10][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:59])[CH2:42][O:63][C:54]([C:46]([CH2:35][CH2:28][CH2:26][CH2:25][CH2:27][CH2:34][C:44]([CH:47]([CH2:40][CH:50]1[CH:53]([CH:45]([CH2:33][CH2:6][CH3:3])[OH:56])[O:66]1)[OH:58])=[O:55])=[O:57])=[O:61] |
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