| Properties | Image |
|---|
| MNX_ID | MNXM104761 |
 |
| reference | chebi:69006 |
| formula | C31H46O5 |
| global charge | 0 |
| mol weight | 498.704 |
| InChIKey | QVTNHGHXAGBGOD-HQOFTSHHSA-N |
| InChI | InChI=1S/C31H46O5/c1-27(2)23-10-9-21-20(29(23,5)14-13-24(27)33)12-16-30(6)19(11-15-31(21,30)7)18(26(34)35-8)17-22(32)25-28(3,4)36-25/h9,18-20,23,25H,10-17H2,1-8H3/t18?,19-,20-,23-,25-,29+,30-,31+/m0/s1 |
| SMILES | COC(=O)C(CC(=O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C |
MNX internals
| InChI (mnx) | InChI=1/C31H46O5/c1-27(2)23-10-9-21-20(29(23,5)14-13-24(27)33)12-16-30(6)19(11-15-31(21,30)7)18(26(34)35-8)17-22(32)25-28(3,4)36-25/h9,18-20,23,25H,10-17H2,1-8H3/t18?,19-,20-,23-,25-,29+,30-,31+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:27]1([CH3:2])[C@@H:23]2[CH2:10][CH:9]=[C:21]3[C@H:20]([CH2:12][CH2:16][C@@:30]4([CH3:6])[C@H:19]([CH:18]([CH2:17][C:22]([C@H:25]5[C:28]([CH3:3])([CH3:4])[O:36]5)=[O:32])[C:26](=[O:34])[O:35][CH3:8])[CH2:11][CH2:15][C@:31]34[CH3:7])[C@@:29]2([CH3:5])[CH2:14][CH2:13][C:24]1=[O:33] |
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