CID 10855351
(8r,12r)-4-[(6r,10r)-2-[(2r,5r)-5-[(6r,10r)-2-[(6r,10r)-2-[(2r,5r)-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-4,8,12,16-tetramethyl-1-[3-methyl-3-[(4r,8r)-4,8,12-trimethyltridecyl]oxiran-2-yl]heptadecan-3-ol
Structural Information
- Molecular Formula
- C120H236O7
- SMILES
- C[C@@H](CCC[C@@H](C)CCCC1(C(O1)CCC(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)[C@H]2CC[C@@H](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)[C@H]3CC[C@@H](O3)C(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)O)C)CCCC(C)C
- InChI
- InChI=1S/C120H236O7/c1-91(2)49-31-55-97(13)61-37-67-103(19)73-43-85-115(25,122)110-81-82-111(123-110)119(29,89-47-77-107(23)71-41-65-101(17)59-35-53-95(9)10)127-120(30,90-48-78-108(24)72-42-66-102(18)60-36-54-96(11)12)113-84-83-112(124-113)118(28,88-46-76-106(22)70-40-64-100(16)58-34-52-94(7)8)126-116(26,86-44-74-104(20)68-38-62-98(14)56-32-50-92(3)4)109(121)79-80-114-117(27,125-114)87-45-75-105(21)69-39-63-99(15)57-33-51-93(5)6/h91-114,121-122H,31-90H2,1-30H3/t97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109?,110-,111-,112-,113-,114?,115?,116?,117?,118?,119?,120?/m1/s1
- InChIKey
- ICSSFSVOQUVGQA-TUKVVMKLSA-N
- Compound name
- (8R,12R)-4-[(6R,10R)-2-[(2R,5R)-5-[(6R,10R)-2-[(6R,10R)-2-[(2R,5R)-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-4,8,12,16-tetramethyl-1-[3-methyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]oxiran-2-yl]heptadecan-3-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1790.8185 | 395.1 |
[M+Na]+ | 1812.8004 | 401.6 |
[M-H]- | 1788.8039 | 394.5 |
[M+NH4]+ | 1807.8450 | 428.5 |
[M+K]+ | 1828.7744 | 438.1 |
[M+H-H2O]+ | 1772.8085 | 400.3 |
[M+HCOO]- | 1834.8094 | 361.9 |
[M+CH3COO]- | 1848.8251 | 412.6 |
[M+Na-2H]- | 1810.7859 | 377.0 |
[M]+ | 1789.8107 | 436.4 |
[M]- | 1789.8117 | 436.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.