| Properties | Image |
|---|
| MNX_ID | MNXM731922 |
 |
| reference | metacycM:CPD-9475 |
| formula | C36H55O10 |
| global charge | -1 |
| mol weight | 647.826 |
| InChIKey | OKQLTVHTONLCTA-DLFRIZOCSA-M |
| InChI | InChI=1S/C36H56O10/c1-31(2)13-15-36(30(44)46-28-27(41)26(40)25(39)21(18-37)45-28)16-14-33(4)19(20(36)17-31)7-8-22-32(3)11-10-24(38)35(6,29(42)43)23(32)9-12-34(22,33)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/p-1/t20?,21?,22?,23?,24-,25+,26-,27-,28?,32+,33+,34+,35-,36-/m0/s1 |
| SMILES | CC1(C)CC[C@]2(C(=O)OC3OC(CO)[C@@H](O)[C@H](O)[C@@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(C(=O)[O-])C5CC[C@]43C)C2C1 |
MNX internals
| InChI (mnx) | InChI=1/C36H56O10/c1-31(2)13-15-36(30(44)46-28-27(41)26(40)25(39)21(18-37)45-28)16-14-33(4)19(20(36)17-31)7-8-22-32(3)11-10-24(38)35(6,29(42)43)23(32)9-12-34(22,33)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/t20?,21?,22?,23?,24-,25+,26-,27-,28?,32+,33+,34+,35-,36-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:31]1([CH3:2])[CH2:13][CH2:15][C@:36]2([C:30](=[O:44])[O:46][CH:28]3[C@@H:27]([OH:41])[C@@H:26]([OH:40])[C@H:25]([OH:39])[CH:21]([CH2:18][OH:37])[O:45]3)[CH2:16][CH2:14][C@:33]3([CH3:4])[C:19](=[CH:7][CH2:8][CH:22]4[C@@:32]5([CH3:3])[CH2:11][CH2:10][C@H:24]([OH:38])[C@@:35]([CH3:6])([C:29](=[O:42])[OH:43])[CH:23]5[CH2:9][CH2:12][C@:34]43[CH3:5])[CH:20]2[CH2:17]1 |
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