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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

2284.1143 Da
Monoisotopic Mass

57.9
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.