| Properties | Image |
|---|
| MNX_ID | MNXM744405 |
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| reference | biggM:1531tacr |
| formula | C42H65NO12 |
| global charge | 0 |
| mol weight | 775.977 |
| InChIKey | SQPNWJSCMPVMSP-XMKWMFEPSA-N |
| InChI | InChI=1S/C42H65NO12/c1-8-11-29-17-23(2)16-24(3)18-35(48)38-36(53-7)20-26(5)42(52,55-38)39(49)40(50)43-15-10-9-12-30(43)41(51)54-37(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+ |
| SMILES | C=CCC1/C=C(\C)CC(C)CC(O)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(/C(C)=C/C3CCC(O)C(O)C3)C(C)C(O)CC1=O)C(C)CC2OC |
MNX internals
| InChI (mnx) | InChI=1/C42H65NO12/c1-8-11-29-17-23(2)16-24(3)18-35(48)38-36(53-7)20-26(5)42(52,55-38)39(49)40(50)43-15-10-9-12-30(43)41(51)54-37(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? |
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| 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]([OH:48])[CH:38]2[CH:36]([O:53][CH3:7])[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:37](/[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 |
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