CID 162892026
[(2s,3s,6s)-6-[(6r,10r)-2-[(6r,10r)-2-[5-[(6r,10r)-2-[(6r,10r)-2-[5-[(6r,10r)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]oxan-3-yl] acetate
Structural Information
- Molecular Formula
- C122H238O8
- SMILES
- C[C@@H](CCC[C@@H](C)CCC[C@]1([C@H](CC[C@H](O1)C(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C2CCC(O2)C(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C3CCC(O3)C(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)OC(=O)C)C)CCCC(C)C
- InChI
- InChI=1S/C122H238O8/c1-92(2)50-32-56-98(13)62-38-68-104(19)74-44-86-117(26,124)111-80-81-113(126-111)119(28,88-46-76-106(21)70-40-64-100(15)58-34-52-94(5)6)129-120(29,89-47-77-107(22)71-41-65-101(16)59-35-53-95(7)8)114-82-83-115(127-114)121(30,90-48-78-108(23)72-42-66-102(17)60-36-54-96(9)10)130-122(31,91-49-79-109(24)73-43-67-103(18)61-37-55-97(11)12)116-85-84-112(125-110(25)123)118(27,128-116)87-45-75-105(20)69-39-63-99(14)57-33-51-93(3)4/h92-109,111-116,124H,32-91H2,1-31H3/t98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,111?,112+,113?,114?,115?,116+,117?,118+,119?,120?,121?,122?/m1/s1
- InChIKey
- FMWOWINXRLNCMX-VCVLFSMMSA-N
- Compound name
- [(2S,3S,6S)-6-[(6R,10R)-2-[(6R,10R)-2-[5-[(6R,10R)-2-[(6R,10R)-2-[5-[(6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-yl] acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1832.8290 | 394.7 |
[M+Na]+ | 1854.8109 | 403.3 |
[M-H]- | 1830.8144 | 397.8 |
[M+NH4]+ | 1849.8555 | 432.8 |
[M+K]+ | 1870.7849 | 440.2 |
[M+H-H2O]+ | 1814.8190 | 402.1 |
[M+HCOO]- | 1876.8199 | 364.2 |
[M+CH3COO]- | 1890.8356 | 425.0 |
[M+Na-2H]- | 1852.7964 | 377.2 |
[M]+ | 1831.8212 | 435.3 |
[M]- | 1831.8222 | 435.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.