| Properties | Image |
|---|
| MNX_ID | MNXM1180957 |
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| reference | envipathM:...75b2e22726b6 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | YJSUSKQLWBMABL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-9-10-11-12-13-14-15-16-19-26-34-46(58)54(62)65-43(41-63-51(59)37-28-22-17-20-25-33-45(57)53(61)44(56)32-24-8-6-4-2)42-64-52(60)38-29-23-18-21-27-35-47-49(66-47)40-50-48(67-50)36-30-31-39-55/h12-13,24,32,43-50,53,55-58,61H,3-11,14-23,25-31,33-42H2,1-2H3 |
| SMILES | CCCCC=CC(O)C(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)OC(=O)C(O)CCCCCCC=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-9-10-11-12-13-14-15-16-19-26-34-46(58)54(62)65-43(41-63-51(59)37-28-22-17-20-25-33-45(57)53(61)44(56)32-24-8-6-4-2)42-64-52(60)38-29-23-18-21-27-35-47-49(66-47)40-50-48(67-50)36-30-31-39-55/h12-13,24,32,43-50,53,55-58,61H,3-11,14-23,25-31,33-42H2,1-2H3/b13-12?,32-24?/t43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| 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][CH2:19][CH2:26][CH2:34][CH:46]([C:54](=[O:62])[O:65][CH:43]([CH2:41][O:63][C:51]([CH2:37][CH2:28][CH2:22][CH2:17][CH2:20][CH2:25][CH2:33][CH:45]([CH:53]([CH:44]([CH:32]=[CH:24][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])[OH:61])[OH:57])=[O:59])[CH2:42][O:64][C:52]([CH2:38][CH2:29][CH2:23][CH2:18][CH2:21][CH2:27][CH2:35][CH:47]1[CH:49]([CH2:40][CH:50]2[CH:48]([CH2:36][CH2:30][CH2:31][CH2:39][OH:55])[O:67]2)[O:66]1)=[O:60])[OH:58] |
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