| Properties | Image |
|---|
| MNX_ID | MNXM108844 |
 |
| reference | chebi:69357 |
| formula | C35H56O6 |
| global charge | 0 |
| mol weight | 572.827 |
| InChIKey | LEZNRZJCVJRZHO-YPEKPQOMSA-N |
| InChI | InChI=1S/C35H56O6/c1-19(2)15-27(37)40-26-11-12-32(7)23-10-13-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)14-9-21(34)20-16-22(39-29(20)38)28-31(5,6)41-28/h19-26,28-29,36,38H,9-18H2,1-8H3/t20-,21-,22+,23+,24-,25+,26+,28-,29?,32+,33-,34+,35+/m0/s1 |
| SMILES | CC(C)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]45C[C@]4(CC[C@H]5[C@@H]4C[C@H]([C@@H]5OC5(C)C)OC4O)[C@]3(C)[C@H](O)C[C@H]2C1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C35H56O6/c1-19(2)15-27(37)40-26-11-12-32(7)23-10-13-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)14-9-21(34)20-16-22(39-29(20)38)28-31(5,6)41-28/h19-26,28-29,36,38H,9-18H2,1-8H3/t20-,21-,22+,23+,24-,25+,26+,28-,29?,32+,33-,34+,35+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:19]([CH3:2])[CH2:15][C:27](=[O:37])[O:40][C@@H:26]1[CH2:11][CH2:12][C@:32]2([CH3:7])[C@H:23]3[CH2:10][CH2:13][C@:34]45[CH2:18][C@:35]4([CH2:14][CH2:9][C@H:21]5[C@@H:20]4[CH2:16][C@H:22]([C@H:28]5[C:31]([CH3:5])([CH3:6])[O:41]5)[O:39][CH:29]4[OH:38])[C@:33]3([CH3:8])[C@H:25]([OH:36])[CH2:17][C@H:24]2[C:30]1([CH3:3])[CH3:4] |
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