CID 163057250
[4-[23-acetyloxy-22-[[(2r)-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]hentriacontyl]-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
- C151H278O12
- SMILES
- CCCCCCCCC(C(CCCCCCCCCCCCCCCCCCCCCC1=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/C151H278O12/c1-33-34-35-36-53-56-99-136(156-132(25)152)137(159-144-129(22)130(23)145-135(131(144)24)105-111-147(27,162-145)106-68-93-124(17)88-63-83-119(12)78-58-73-114(2)3)100-57-54-51-49-47-45-43-41-39-37-38-40-42-44-46-48-50-52-55-98-134-112-138(155-32)146(157-133(26)153)139(113-134)158-141-103-104-143(161-149(141,29)108-70-95-126(19)90-65-85-121(14)80-60-75-116(6)7)151(31,110-72-97-128(21)92-67-87-123(16)82-62-77-118(10)11)163-150(30,109-71-96-127(20)91-66-86-122(15)81-61-76-117(8)9)142-102-101-140(160-142)148(28,154)107-69-94-125(18)89-64-84-120(13)79-59-74-115(4)5/h112-128,136-137,140-143,154H,33-111H2,1-32H3/t119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,136?,137?,140+,141-,142+,143+,147-,148?,149+,150?,151?/m1/s1
- InChIKey
- DRUQGGFPYDQAQY-QGYVKODZSA-N
- Compound name
- [4-[23-acetyloxy-22-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]hentriacontyl]-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]+ | 2285.1216 | 423.8 |
[M+Na]+ | 2307.1035 | 429.0 |
[M-H]- | 2283.1070 | 438.5 |
[M+NH4]+ | 2302.1481 | 429.5 |
[M+K]+ | 2323.0775 | 406.7 |
[M+H-H2O]+ | 2267.1116 | 407.4 |
[M+HCOO]- | 2329.1125 | 427.0 |
[M+CH3COO]- | 2343.1282 | 451.3 |
[M+Na-2H]- | 2305.0890 | 469.8 |
[M]+ | 2284.1138 | 464.1 |
[M]- | 2284.1148 | 464.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.