| Properties | Image |
|---|
| MNX_ID | MNXM107975 |
 |
| reference | chebi:70545 |
| formula | C30H42O9 |
| global charge | 0 |
| mol weight | 546.657 |
| InChIKey | XRYQMTUHMOLDGS-RCWUUIKUSA-N |
| InChI | InChI=1S/C30H42O9/c1-15(2)26-13-17(4)29-19-21(26)35-28(38-26,39-29)12-10-8-6-7-9-11-16(3)18-20(29)30(24(33)36-25(18,5)37-30)23(32)27(14-31)22(19)34-27/h16-23,31-32H,1,6-14H2,2-5H3/t16-,17+,18+,19+,20-,21+,22-,23+,25-,26+,27-,28+,29+,30-/m0/s1 |
| SMILES | C=C(C)[C@]12C[C@@H](C)[C@]34O[C@@]5(CCCCCCC[C@H](C)[C@@H]6[C@@H]3[C@]3(O[C@]6(C)OC3=O)[C@H](O)[C@@]3(CO)O[C@H]3[C@H]4[C@H]1O5)O2 |
MNX internals
| InChI (mnx) | InChI=1/C30H42O9/c1-15(2)26-13-17(4)29-19-21(26)35-28(38-26,39-29)12-10-8-6-7-9-11-16(3)18-20(29)30(24(33)36-25(18,5)37-30)23(32)27(14-31)22(19)34-27/h16-23,31-32H,1,6-14H2,2-5H3/t16-,17+,18+,19+,20-,21+,22-,23+,25-,26+,27-,28+,29+,30-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:15]([CH3:2])[C@:26]12[CH2:13][C@@H:17]([CH3:4])[C@@:29]34[C@@H:19]5[C@H:21]1[O:35][C@:28]([CH2:12][CH2:10][CH2:8][CH2:6][CH2:7][CH2:9][CH2:11][C@H:16]([CH3:3])[C@@H:18]1[C@@H:20]3[C@:30]3([C@H:23]([OH:32])[C@:27]6([CH2:14][OH:31])[C@H:22]5[O:34]6)[C:24](=[O:33])[O:36][C@@:25]1([CH3:5])[O:37]3)([O:38]2)[O:39]4 |
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