| Properties | Image |
|---|
| MNX_ID | MNXM744402 |
 |
| reference | biggM:1331tacr |
| formula | C42H65NO12 |
| global charge | 0 |
| mol weight | 775.977 |
| InChIKey | HYZMTZWWIIJDPV-UHFFFAOYSA-N |
| InChI | InChI=1S/C42H65NO12/c1-8-11-29-17-23(2)16-24(3)18-35(53-7)37(48)36-20-26(5)42(52,55-36)39(49)40(50)43-15-10-9-12-30(43)41(51)54-38(27(6)32(45)22-33(29)46)25(4)19-28-13-14-31(44)34(47)21-28/h8,17,19,24,26-32,34-38,44-45,47-48,52H,1,9-16,18,20-22H2,2-7H3 |
| SMILES | C=CCC1C=C(C)CC(C)CC(OC)C(O)C2CC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)=CC2CCC(O)C(O)C2)C(C)C(O)CC1=O |
MNX internals
| InChI (mnx) | InChI=1/C42H65NO12/c1-8-11-29-17-23(2)16-24(3)18-35(53-7)37(48)36-20-26(5)42(52,55-36)39(49)40(50)43-15-10-9-12-30(43)41(51)54-38(27(6)32(45)22-33(29)46)25(4)19-28-13-14-31(44)34(47)21-28/h8,17,19,24,26-32,34-38,44-45,47-48,52H,1,9-16,18,20-22H2,2-7H3/b23-17?,25-19?/t24?,26?,27?,28?,29?,30?,31?,32?,34?,35?,36?,37?,38?,42? |
 |
| SMILES (mnx) | [CH2:1]=[CH:8][CH2:11][CH:29]1[CH:17]=[C:23]([CH3:2])[CH2:16][CH:24]([CH3:3])[CH2:18][CH:35]([O:53][CH3:7])[CH:37]([OH:48])[CH:36]2[CH2:20][CH:26]([CH3:5])[C:42]([OH:52])([C:39](=[O:49])[C:40](=[O:50])[N:43]3[CH2:15][CH2:10][CH2:9][CH2:12][CH:30]3[C:41](=[O:51])[O:54][CH:38]([C:25]([CH3:4])=[CH:19][CH:28]3[CH2:13][CH2:14][CH:31]([OH:44])[CH:34]([OH:47])[CH2:21]3)[CH:27]([CH3:6])[CH:32]([OH:45])[CH2:22][C:33]1=[O:46])[O:55]2 |
|