| Properties | Image |
|---|
| MNX_ID | MNXM11610 |
 |
| reference | metacycM:CPD-12804 |
| formula | C32H52O9 |
| global charge | 0 |
| mol weight | 580.759 |
| InChIKey | FEQSXXYJWMCXJX-FMYGVZKHSA-N |
| InChI | InChI=1S/C32H52O9/c1-9-31(5,6)39-15-22-26(35)27(36)28(37)30(40-22)41-29-24-20(16(2)3)12-23(33)32(24,7)13-21-18(14-38-8)10-11-19(21)17(4)25(29)34/h9,13,16-19,22-23,25-30,33-37H,1,10-12,14-15H2,2-8H3/b21-13-/t17-,18-,19+,22-,23+,25-,26-,27+,28-,29-,30-,32+/m1/s1 |
| SMILES | C=CC(C)(C)OC[C@H]1O[C@H](O[C@@H]2C3=C(C(C)C)C[C@H](O)[C@]3(C)/C=C3/[C@@H](COC)CC[C@H]3[C@@H](C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C32H52O9/c1-9-31(5,6)39-15-22-26(35)27(36)28(37)30(40-22)41-29-24-20(16(2)3)12-23(33)32(24,7)13-21-18(14-38-8)10-11-19(21)17(4)25(29)34/h9,13,16-19,22-23,25-30,33-37H,1,10-12,14-15H2,2-8H3/b21-13-/t17-,18-,19+,22-,23+,25-,26-,27+,28-,29-,30-,32+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:9][C:31]([CH3:5])([CH3:6])[O:39][CH2:15][C@@H:22]1[C@@H:26]([OH:35])[C@H:27]([OH:36])[C@@H:28]([OH:37])[C@@H:30]([O:41][C@@H:29]2[C:24]3=[C:20]([CH:16]([CH3:2])[CH3:3])[CH2:12][C@H:23]([OH:33])[C@:32]3([CH3:7])/[CH:13]=[C:21]3/[C@@H:18]([CH2:14][O:38][CH3:8])[CH2:10][CH2:11][C@H:19]3[C@@H:17]([CH3:4])[C@H:25]2[OH:34])[O:40]1 |
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