| Properties | Image |
|---|
| MNX_ID | MNXM104865 |
 |
| reference | chebi:65847 |
| formula | C30H44O8 |
| global charge | 0 |
| mol weight | 532.674 |
| InChIKey | UWSYUCZPPVXEKW-UDLMDNSSSA-N |
| InChI | InChI=1S/C30H44O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,24-25,27,34-35H,9-13H2,1-8H3/t15-,16-,20+,21+,24+,25+,27+,29-,30-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](OC(C)=O)[C@@H](C)C1=CC(=O)C2=C(O[C@@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3[C@@H]2O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C30H44O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,24-25,27,34-35H,9-13H2,1-8H3/t15-,16-,20+,21+,24+,25+,27+,29-,30-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:9][C@H:15]([CH3:2])[C@H:25]([C@@H:16]([CH3:3])[C:18]1=[CH:14][C:19](=[O:32])[C:22]2=[C:26]([C:23]1=[O:33])[O:38][C@@:30]1([CH3:8])[CH2:13][CH2:11][C@@H:21]3[C@:29]([CH3:7])([CH2:12][CH2:10][C@H:20]([C:28]([CH3:5])([CH3:6])[OH:35])[O:37]3)[C@H:27]1[C@@H:24]2[OH:34])[O:36][C:17]([CH3:4])=[O:31] |
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