| Properties | Image |
|---|
| MNX_ID | MNXM106576 |
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| reference | chebi:69960 |
| formula | C32H54O3 |
| global charge | 0 |
| mol weight | 486.781 |
| InChIKey | XKNFVOLVUYNREE-JEWLOWAJSA-N |
| InChI | InChI=1S/C32H54O3/c1-9-23(21(2)3)11-10-22(4)24-14-16-30(8)26-13-12-25(28(5,6)35)31(17-15-27(33)34)20-32(26,31)19-18-29(24,30)7/h22-26,35H,2,9-20H2,1,3-8H3,(H,33,34)/t22-,23?,24-,25+,26+,29-,30+,31-,32+/m1/s1 |
| SMILES | C=C(C)C(CC)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)(C)O)[C@@]4(CCC(=O)O)C[C@@]34CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C32H54O3/c1-9-23(21(2)3)11-10-22(4)24-14-16-30(8)26-13-12-25(28(5,6)35)31(17-15-27(33)34)20-32(26,31)19-18-29(24,30)7/h22-26,35H,2,9-20H2,1,3-8H3,(H,33,34)/t22-,23?,24-,25+,26+,29-,30+,31-,32+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:9][CH:23]([CH2:11][CH2:10][C@@H:22]([CH3:4])[C@H:24]1[CH2:14][CH2:16][C@@:30]2([CH3:8])[C@@H:26]3[CH2:13][CH2:12][C@@H:25]([C:28]([CH3:5])([CH3:6])[OH:35])[C@@:31]4([CH2:17][CH2:15][C:27](=[O:33])[OH:34])[CH2:20][C@@:32]34[CH2:19][CH2:18][C@:29]12[CH3:7])[C:21](=[CH2:2])[CH3:3] |
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