| Properties | Image |
|---|
| MNX_ID | MNXM1186683 |
 |
| reference | envipathM:...9432a3bb23c1 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | DKQSNLFNKXUADK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-38-52(61)65-43(41-63-50(59)36-28-22-18-20-27-35-48-47(66-48)34-26-19-8-6-4-2)42-64-51(60)37-29-24-23-25-32-45(57)54-49(67-54)40-46(58)53(62)44(56)33-31-39-55/h12-13,19,26,43-49,53-58,62H,3-11,14-18,20-25,27-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC(O)C(O)C(O)CCCO)OC(=O)CCCCCCCC=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-38-52(61)65-43(41-63-50(59)36-28-22-18-20-27-35-48-47(66-48)34-26-19-8-6-4-2)42-64-51(60)37-29-24-23-25-32-45(57)54-49(67-54)40-46(58)53(62)44(56)33-31-39-55/h12-13,19,26,43-49,53-58,62H,3-11,14-18,20-25,27-42H2,1-2H3/b13-12?,26-19?/t43?,44?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:21][CH2:30][CH2:38][C:52](=[O:61])[O:65][CH:43]([CH2:41][O:63][C:50]([CH2:36][CH2:28][CH2:22][CH2:18][CH2:20][CH2:27][CH2:35][CH:48]1[CH:47]([CH2:34][CH:26]=[CH:19][CH2:8][CH2:6][CH2:4][CH3:2])[O:66]1)=[O:59])[CH2:42][O:64][C:51]([CH2:37][CH2:29][CH2:24][CH2:23][CH2:25][CH2:32][CH:45]([CH:54]1[CH:49]([CH2:40][CH:46]([CH:53]([CH:44]([CH2:33][CH2:31][CH2:39][OH:55])[OH:56])[OH:62])[OH:58])[O:67]1)[OH:57])=[O:60] |
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