| Properties | Image |
|---|
| MNX_ID | MNXM10081 |
 |
| reference | metacycM:CPD-13803 |
| formula | C29H45O3 |
| global charge | -1 |
| mol weight | 441.676 |
| InChIKey | UAGBGBGSEJZUGT-QOBXYLSWSA-M |
| InChI | InChI=1S/C29H46O3/c1-6-20(19(3)27(31)32)8-7-18(2)24-11-12-25-23-10-9-21-17-22(30)13-15-28(21,4)26(23)14-16-29(24,25)5/h17-20,23-26H,6-16H2,1-5H3,(H,31,32)/p-1/t18-,19?,20-,23+,24-,25+,26+,28+,29-/m1/s1 |
| SMILES | CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C29H46O3/c1-6-20(19(3)27(31)32)8-7-18(2)24-11-12-25-23-10-9-21-17-22(30)13-15-28(21,4)26(23)14-16-29(24,25)5/h17-20,23-26H,6-16H2,1-5H3,(H,31,32)/t18-,19?,20-,23+,24-,25+,26+,28+,29-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][C@H:20]([CH2:8][CH2:7][C@@H:18]([CH3:2])[C@H:24]1[CH2:11][CH2:12][C@H:25]2[C@@H:23]3[CH2:10][CH2:9][C:21]4=[CH:17][C:22](=[O:30])[CH2:13][CH2:15][C@:28]4([CH3:4])[C@H:26]3[CH2:14][CH2:16][C@:29]12[CH3:5])[CH:19]([CH3:3])[C:27](=[O:31])[OH:32] |
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