| Properties | Image |
|---|
| MNX_ID | MNXM61274 |
 |
| reference | metacycM:CPD-9486 |
| formula | C36H55O11 |
| global charge | -1 |
| mol weight | 663.825 |
| InChIKey | GMVJAWSHKWFNPN-HXZZEOLJSA-M |
| InChI | InChI=1S/C36H56O11/c1-31(2)11-13-36(29(43)44)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(42)35(6,23(32)9-10-34(22,33)5)30(45)47-28-26(41)25(40)24(39)21(17-37)46-28/h7,19-28,37-42H,8-17H2,1-6H3,(H,43,44)/p-1/t19-,20-,21+,22+,23+,24+,25-,26+,27-,28-,32+,33+,34+,35-,36-/m0/s1 |
| SMILES | CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5CC[C@]43C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C36H56O11/c1-31(2)11-13-36(29(43)44)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(42)35(6,23(32)9-10-34(22,33)5)30(45)47-28-26(41)25(40)24(39)21(17-37)46-28/h7,19-28,37-42H,8-17H2,1-6H3,(H,43,44)/t19-,20-,21+,22+,23+,24+,25-,26+,27-,28-,32+,33+,34+,35-,36-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:31]1([CH3:2])[CH2:11][CH2:13][C@:36]2([C:29](=[O:43])[OH:44])[CH2:14][CH2:12][C@:33]3([CH3:4])[C:18](=[CH:7][CH2:8][C@@H:22]4[C@@:32]5([CH3:3])[CH2:16][C@H:20]([OH:38])[C@H:27]([OH:42])[C@@:35]([CH3:6])([C:30](=[O:45])[O:47][C@H:28]6[C@H:26]([OH:41])[C@@H:25]([OH:40])[C@H:24]([OH:39])[C@@H:21]([CH2:17][OH:37])[O:46]6)[C@@H:23]5[CH2:9][CH2:10][C@:34]43[CH3:5])[C@@H:19]2[CH2:15]1 |
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