| Properties | Image |
|---|
| MNX_ID | MNXM147666 |
 |
| reference | metacycM:CPD-17375 |
| formula | C39H70O7 |
| global charge | 0 |
| mol weight | 650.982 |
| InChIKey | RCALBBVHQNUWNO-OSFDYRCISA-N |
| InChI | InChI=1S/C39H70O7/c40-33-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-38(43)45-36-37(35-42)46-39(44)32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-34-41/h1-4,10,14,37,40-42H,5-9,11-13,15-36H2/b3-1-,4-2-,14-10-/t37-/m0/s1 |
| SMILES | O=C(CCCCCCC/C=C\CCCCCCCCO)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C39H70O7/c40-33-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-38(43)45-36-37(35-42)46-39(44)32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-34-41/h1-4,10,14,37,40-42H,5-9,11-13,15-36H2/b3-1-,4-2-,14-10-/t37-/m0/s1 |
 |
| SMILES (mnx) | [CH:1](=[CH:3]\[CH2:7][CH2:11][CH2:15][CH2:19][CH2:23][CH2:27][CH2:31][C:38](=[O:43])[O:45][CH2:36][C@H:37]([CH2:35][OH:42])[O:46][C:39]([CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8]/[CH:4]=[CH:2]\[CH2:6]/[CH:10]=[CH:14]\[CH2:18][CH2:22][CH2:26][CH2:30][CH2:34][OH:41])=[O:44])\[CH2:5][CH2:9][CH2:13][CH2:17][CH2:21][CH2:25][CH2:29][CH2:33][OH:40] |
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