| Properties | Image |
|---|
| MNX_ID | MNXM1194381 |
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| reference | envipathM:...83f81e38498f |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | MBANSEKLUVSXSP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-10-15-24-33-45-46(64-45)34-25-17-13-19-27-36-51(57)61-40-42(63-53(59)38-29-21-12-16-23-31-44(56)54(60)43(55)30-22-11-8-5-2)41-62-52(58)37-28-20-14-18-26-35-48-50(66-48)39-49-47(65-49)32-9-6-3/h22,30,42-50,54-56,60H,4-21,23-29,31-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C(O)C(O)CCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-10-15-24-33-45-46(64-45)34-25-17-13-19-27-36-51(57)61-40-42(63-53(59)38-29-21-12-16-23-31-44(56)54(60)43(55)30-22-11-8-5-2)41-62-52(58)37-28-20-14-18-26-35-48-50(66-48)39-49-47(65-49)32-9-6-3/h22,30,42-50,54-56,60H,4-21,23-29,31-41H2,1-3H3/b30-22?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:15][CH2:24][CH2:33][CH:45]1[CH:46]([CH2:34][CH2:25][CH2:17][CH2:13][CH2:19][CH2:27][CH2:36][C:51](=[O:57])[O:61][CH2:40][CH:42]([CH2:41][O:62][C:52]([CH2:37][CH2:28][CH2:20][CH2:14][CH2:18][CH2:26][CH2:35][CH:48]2[CH:50]([CH2:39][CH:49]3[CH:47]([CH2:32][CH2:9][CH2:6][CH3:3])[O:65]3)[O:66]2)=[O:58])[O:63][C:53]([CH2:38][CH2:29][CH2:21][CH2:12][CH2:16][CH2:23][CH2:31][CH:44]([CH:54]([CH:43]([CH:30]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:60])[OH:56])=[O:59])[O:64]1 |
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