| Properties | Image |
|---|
| MNX_ID | MNXM1176748 |
 |
| reference | envipathM:...4f734d451d04 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | CHSBFFGGGCJYBZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-23-32-39-52(59)64-43(41-62-50(57)37-30-24-21-22-29-36-47-49(66-47)40-48-46(65-48)35-9-6-3)42-63-51(58)38-31-26-25-28-34-45(56)54(61)53(60)44(55)33-27-11-8-5-2/h12-13,15-16,43-49,53,55-56,60H,4-11,14,17-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCCC(O)C(=O)C(O)C(O)CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-23-32-39-52(59)64-43(41-62-50(57)37-30-24-21-22-29-36-47-49(66-47)40-48-46(65-48)35-9-6-3)42-63-51(58)38-31-26-25-28-34-45(56)54(61)53(60)44(55)33-27-11-8-5-2/h12-13,15-16,43-49,53,55-56,60H,4-11,14,17-42H2,1-3H3/b13-12?,16-15?/t43?,44?,45?,46?,47?,48?,49?,53? |
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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][CH2:23][CH2:32][CH2:39][C:52](=[O:59])[O:64][CH:43]([CH2:41][O:62][C:50]([CH2:37][CH2:30][CH2:24][CH2:21][CH2:22][CH2:29][CH2:36][CH:47]1[CH:49]([CH2:40][CH:48]2[CH:46]([CH2:35][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)=[O:57])[CH2:42][O:63][C:51]([CH2:38][CH2:31][CH2:26][CH2:25][CH2:28][CH2:34][CH:45]([C:54]([CH:53]([CH:44]([CH2:33][CH2:27][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:60])=[O:61])[OH:56])=[O:58] |
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