| Properties | Image |
|---|
| MNX_ID | MNXM102155 |
 |
| reference | chebi:67297 |
| formula | C33H36O7 |
| global charge | 0 |
| mol weight | 544.644 |
| InChIKey | FJGQKVDLYYRRKR-VHSMAHMUSA-N |
| InChI | InChI=1S/C33H36O7/c1-29(2)22-17-24(38-27(35)19-9-7-6-8-10-19)32(5)21(30(22,3)14-12-23(29)34)11-15-31(4)25(20-13-16-37-18-20)39-28(36)26-33(31,32)40-26/h6-10,12-14,16,18,21-22,24-26H,11,15,17H2,1-5H3/t21-,22+,24-,25+,26-,30-,31+,32+,33-/m1/s1 |
| SMILES | CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](C5=COC=C5)OC(=O)[C@H]5O[C@]54[C@]3(C)[C@H](OC(=O)C3=CC=CC=C3)C[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C33H36O7/c1-29(2)22-17-24(38-27(35)19-9-7-6-8-10-19)32(5)21(30(22,3)14-12-23(29)34)11-15-31(4)25(20-13-16-37-18-20)39-28(36)26-33(31,32)40-26/h6-10,12-14,16,18,21-22,24-26H,11,15,17H2,1-5H3/t21-,22+,24-,25+,26-,30-,31+,32+,33-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:29]1([CH3:2])[C@@H:22]2[CH2:17][C@@H:24]([O:38][C:27]([C:19]3=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]3)=[O:35])[C@:32]3([CH3:5])[C@H:21]([CH2:11][CH2:15][C@@:31]4([CH3:4])[C@H:25]([C:20]5=[CH:18][O:37][CH:16]=[CH:13]5)[O:39][C:28](=[O:36])[C@@H:26]5[C@@:33]43[O:40]5)[C@@:30]2([CH3:3])[CH:14]=[CH:12][C:23]1=[O:34] |
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