| Properties | Image |
|---|
| MNX_ID | MNXM1191800 |
 |
| reference | envipathM:...82323274cdbe |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | BEYCEEYNBBZMMI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-10-16-27-36-48-49(65-48)37-28-18-15-20-29-38-52(59)62-41-44(64-53(60)39-30-19-14-12-13-17-24-32-43(55)31-23-11-8-5-2)42-63-54(61)46(57)34-26-22-21-25-33-45(56)47(58)40-51-50(66-51)35-9-6-3/h16,23-24,27,31-32,44-45,47-51,56,58H,4-15,17-22,25-26,28-30,33-42H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(=O)CCCCCCC(O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCC=CC(=O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-10-16-27-36-48-49(65-48)37-28-18-15-20-29-38-52(59)62-41-44(64-53(60)39-30-19-14-12-13-17-24-32-43(55)31-23-11-8-5-2)42-63-54(61)46(57)34-26-22-21-25-33-45(56)47(58)40-51-50(66-51)35-9-6-3/h16,23-24,27,31-32,44-45,47-51,56,58H,4-15,17-22,25-26,28-30,33-42H2,1-3H3/b27-16?,31-23?,32-24?/t44?,45?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:16]=[CH:27][CH2:36][CH:48]1[CH:49]([CH2:37][CH2:28][CH2:18][CH2:15][CH2:20][CH2:29][CH2:38][C:52](=[O:59])[O:62][CH2:41][CH:44]([CH2:42][O:63][C:54]([C:46]([CH2:34][CH2:26][CH2:22][CH2:21][CH2:25][CH2:33][CH:45]([CH:47]([CH2:40][CH:51]2[CH:50]([CH2:35][CH2:9][CH2:6][CH3:3])[O:66]2)[OH:58])[OH:56])=[O:57])=[O:61])[O:64][C:53]([CH2:39][CH2:30][CH2:19][CH2:14][CH2:12][CH2:13][CH2:17][CH:24]=[CH:32][C:43]([CH:31]=[CH:23][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55])=[O:60])[O:65]1 |
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