| Properties | Image |
|---|
| MNX_ID | MNXM82517 |
 |
| reference | metacycM:CPD-9492 |
| formula | C36H58O8 |
| global charge | 0 |
| mol weight | 618.852 |
| InChIKey | ALXGAHXXVSWGDV-BYXXEIBDSA-N |
| InChI | InChI=1S/C36H58O8/c1-31(2)16-21-20-8-9-24-33(4)12-11-26(44-30-29(42)28(41)27(40)22(18-37)43-30)34(5,19-38)23(33)10-13-36(24,7)35(20,6)15-14-32(21,3)25(39)17-31/h8,21-24,26-30,37-38,40-42H,9-19H2,1-7H3/t21-,22+,23+,24+,26-,27+,28-,29+,30-,32+,33-,34+,35+,36+/m0/s1 |
| SMILES | CC1(C)CC(=O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C36H58O8/c1-31(2)16-21-20-8-9-24-33(4)12-11-26(44-30-29(42)28(41)27(40)22(18-37)43-30)34(5,19-38)23(33)10-13-36(24,7)35(20,6)15-14-32(21,3)25(39)17-31/h8,21-24,26-30,37-38,40-42H,9-19H2,1-7H3/t21-,22+,23+,24+,26-,27+,28-,29+,30-,32+,33-,34+,35+,36+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:31]1([CH3:2])[CH2:16][C@H:21]2[C:20]3=[CH:8][CH2:9][C@@H:24]4[C@@:33]5([CH3:4])[CH2:12][CH2:11][C@H:26]([O:44][C@H:30]6[C@H:29]([OH:42])[C@@H:28]([OH:41])[C@H:27]([OH:40])[C@@H:22]([CH2:18][OH:37])[O:43]6)[C@:34]([CH3:5])([CH2:19][OH:38])[C@@H:23]5[CH2:10][CH2:13][C@@:36]4([CH3:7])[C@:35]3([CH3:6])[CH2:15][CH2:14][C@@:32]2([CH3:3])[C:25](=[O:39])[CH2:17]1 |
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