| Properties | Image |
|---|
| MNX_ID | MNXM1184958 |
 |
| reference | envipathM:...81db367d0899 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | SXXMXPNBTOMFGI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-10-12-13-16-23-31-43(55)32-24-19-21-30-39-53(60)64-44(41-62-51(58)37-28-18-14-17-27-36-48-47(65-48)35-26-15-11-8-5-2)42-63-52(59)38-29-22-20-25-33-45(56)54(61)46(57)40-50-49(66-50)34-9-6-3/h12-13,23,31,43-50,54-57,61H,4-11,14-22,24-30,32-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCCC)COC(=O)CCCCCCC(O)C(O)C(O)CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-10-12-13-16-23-31-43(55)32-24-19-21-30-39-53(60)64-44(41-62-51(58)37-28-18-14-17-27-36-48-47(65-48)35-26-15-11-8-5-2)42-63-52(59)38-29-22-20-25-33-45(56)54(61)46(57)40-50-49(66-50)34-9-6-3/h12-13,23,31,43-50,54-57,61H,4-11,14-22,24-30,32-42H2,1-3H3/b13-12?,31-23?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:16][CH:23]=[CH:31][CH:43]([CH2:32][CH2:24][CH2:19][CH2:21][CH2:30][CH2:39][C:53](=[O:60])[O:64][CH:44]([CH2:41][O:62][C:51]([CH2:37][CH2:28][CH2:18][CH2:14][CH2:17][CH2:27][CH2:36][CH:48]1[CH:47]([CH2:35][CH2:26][CH2:15][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:58])[CH2:42][O:63][C:52]([CH2:38][CH2:29][CH2:22][CH2:20][CH2:25][CH2:33][CH:45]([CH:54]([CH:46]([CH2:40][CH:50]1[CH:49]([CH2:34][CH2:9][CH2:6][CH3:3])[O:66]1)[OH:57])[OH:61])[OH:56])=[O:59])[OH:55] |
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