| Properties | Image |
|---|
| MNX_ID | MNXM5627 |
 |
| reference | chebi:29538 |
| formula | C33H46O8 |
| global charge | 0 |
| mol weight | 570.723 |
| InChIKey | IVLVHFFFOVKPKM-XMGCMGKSSA-N |
| InChI | InChI=1S/C33H46O8/c1-18(2)29-21(5)12-13-32(41-29)16-25-15-24(40-32)11-10-20(4)27(34)19(3)8-7-9-23-17-38-30-28(35)22(6)14-26(31(36)39-25)33(23,30)37/h7-10,12-14,18-19,21,24-30,34-35,37H,11,15-17H2,1-6H3/b8-7+,20-10+,23-9+/t19-,21-,24+,25-,26-,27-,28+,29+,30+,32+,33+/m0/s1 |
| SMILES | CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(C=C[C@H](C)[C@@H](C(C)C)O1)C3 |
MNX internals
| InChI (mnx) | InChI=1/C33H46O8/c1-18(2)29-21(5)12-13-32(41-29)16-25-15-24(40-32)11-10-20(4)27(34)19(3)8-7-9-23-17-38-30-28(35)22(6)14-26(31(36)39-25)33(23,30)37/h7-10,12-14,18-19,21,24-30,34-35,37H,11,15-17H2,1-6H3/b8-7+,20-10+,23-9+/t19-,21-,24+,25-,26-,27-,28+,29+,30+,32+,33+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:18]([CH3:2])[C@@H:29]1[C@@H:21]([CH3:5])[CH:12]=[CH:13][C@:32]2([CH2:16][C@@H:25]3[CH2:15][C@@H:24]([CH2:11]/[CH:10]=[C:20](\[CH3:4])[C@@H:27]([OH:34])[C@@H:19]([CH3:3])/[CH:8]=[CH:7]/[CH:9]=[C:23]4\[CH2:17][O:38][C@@H:30]5[C@H:28]([OH:35])[C:22]([CH3:6])=[CH:14][C@@H:26]([C:31](=[O:36])[O:39]3)[C@:33]45[OH:37])[O:40]2)[O:41]1 |
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