CID 163057253
[4-[25-acetyloxy-24-[[(2r)-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]tritriacontyl]-2-[(2s,3r,6s)-6-[(6r,10r)-2-[(6r,10r)-2-[(2s,5s)-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]-2-methyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]oxan-3-yl]oxy-6-methoxyphenyl] acetate
Structural Information
- Molecular Formula
- C153H282O12
- SMILES
- CCCCCCCCC(C(CCCCCCCCCCCCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@@H]2CC[C@H](O[C@@]2(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)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)OC(=O)C)OC)OC4=C(C5=C(C(=C4C)C)O[C@](CC5)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)C
- InChI
- InChI=1S/C153H282O12/c1-33-34-35-36-55-58-101-138(158-134(25)154)139(161-146-131(22)132(23)147-137(133(146)24)107-113-149(27,164-147)108-70-95-126(17)90-65-85-121(12)80-60-75-116(2)3)102-59-56-53-51-49-47-45-43-41-39-37-38-40-42-44-46-48-50-52-54-57-100-136-114-140(157-32)148(159-135(26)155)141(115-136)160-143-105-106-145(163-151(143,29)110-72-97-128(19)92-67-87-123(14)82-62-77-118(6)7)153(31,112-74-99-130(21)94-69-89-125(16)84-64-79-120(10)11)165-152(30,111-73-98-129(20)93-68-88-124(15)83-63-78-119(8)9)144-104-103-142(162-144)150(28,156)109-71-96-127(18)91-66-86-122(13)81-61-76-117(4)5/h114-130,138-139,142-145,156H,33-113H2,1-32H3/t121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,138?,139?,142+,143-,144+,145+,149-,150?,151+,152?,153?/m1/s1
- InChIKey
- XBNCVADGPFQUPY-IQADTHIBSA-N
- Compound name
- [4-[25-acetyloxy-24-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]tritriacontyl]-2-[(2S,3R,6S)-6-[(6R,10R)-2-[(6R,10R)-2-[(2S,5S)-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]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-yl]oxy-6-methoxyphenyl] acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 2313.1531 | 425.6 |
[M+Na]+ | 2335.1350 | 430.7 |
[M-H]- | 2311.1385 | 440.3 |
[M+NH4]+ | 2330.1796 | 431.2 |
[M+K]+ | 2351.1090 | 408.4 |
[M+H-H2O]+ | 2295.1431 | 409.2 |
[M+HCOO]- | 2357.1440 | 428.7 |
[M+CH3COO]- | 2371.1597 | 451.9 |
[M+Na-2H]- | 2333.1205 | 471.6 |
[M]+ | 2312.1453 | 465.6 |
[M]- | 2312.1463 | 465.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.