| Properties | Image |
|---|
| MNX_ID | MNXM106605 |
 |
| reference | chebi:69364 |
| formula | C31H50O7 |
| global charge | 0 |
| mol weight | 534.734 |
| InChIKey | SUUYXWGSSHWCRR-RIFYGRPCSA-N |
| InChI | InChI=1S/C31H50O7/c1-26(18-32)13-15-31(25(35)36)16-14-28(3)20(21(31)17-26)7-8-22-27(2,11-10-24(34)38-6)23(30(5,37)19-33)9-12-29(22,28)4/h7,21-23,32-33,37H,8-19H2,1-6H3,(H,35,36)/t21-,22+,23+,26+,27+,28+,29+,30?,31-/m0/s1 |
| SMILES | COC(=O)CC[C@]1(C)[C@H]2CC=C3[C@@H]4C[C@](C)(CO)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(C)(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C31H50O7/c1-26(18-32)13-15-31(25(35)36)16-14-28(3)20(21(31)17-26)7-8-22-27(2,11-10-24(34)38-6)23(30(5,37)19-33)9-12-29(22,28)4/h7,21-23,32-33,37H,8-19H2,1-6H3,(H,35,36)/t21-,22+,23+,26+,27+,28+,29+,30?,31-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@:26]1([CH2:18][OH:32])[CH2:13][CH2:15][C@:31]2([C:25](=[O:35])[OH:36])[CH2:16][CH2:14][C@:28]3([CH3:3])[C:20](=[CH:7][CH2:8][C@@H:22]4[C@@:27]([CH3:2])([CH2:11][CH2:10][C:24](=[O:34])[O:38][CH3:6])[C@H:23]([C:30]([CH3:5])([CH2:19][OH:33])[OH:37])[CH2:9][CH2:12][C@:29]43[CH3:4])[C@@H:21]2[CH2:17]1 |
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