| Properties | Image |
|---|
| MNX_ID | MNXM1198540 |
 |
| reference | envipathM:...875cde543fbc |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | WGQAHWBWJOTBPD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-32-39-52(59)64-43(42-63-54(61)46(57)35-29-25-26-31-38-49-48(65-49)37-30-21-11-8-5-2)41-62-53(60)45(56)34-28-24-23-27-33-44(55)47(58)40-51-50(66-51)36-9-6-3/h12-13,15-16,21,30,43-44,47-51,55,58H,4-11,14,17-20,22-29,31-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)C(=O)CCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)C(=O)CCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-32-39-52(59)64-43(42-63-54(61)46(57)35-29-25-26-31-38-49-48(65-49)37-30-21-11-8-5-2)41-62-53(60)45(56)34-28-24-23-27-33-44(55)47(58)40-51-50(66-51)36-9-6-3/h12-13,15-16,21,30,43-44,47-51,55,58H,4-11,14,17-20,22-29,31-42H2,1-3H3/b13-12?,16-15?,30-21?/t43?,44?,47?,48?,49?,50?,51? |
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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][CH2:22][CH2:32][CH2:39][C:52](=[O:59])[O:64][CH:43]([CH2:41][O:62][C:53]([C:45]([CH2:34][CH2:28][CH2:24][CH2:23][CH2:27][CH2:33][CH:44]([CH:47]([CH2:40][CH:51]1[CH:50]([CH2:36][CH2:9][CH2:6][CH3:3])[O:66]1)[OH:58])[OH:55])=[O:56])=[O:60])[CH2:42][O:63][C:54]([C:46]([CH2:35][CH2:29][CH2:25][CH2:26][CH2:31][CH2:38][CH:49]1[CH:48]([CH2:37][CH:30]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:57])=[O:61] |
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