[3,4-dibenzoyloxy-6-[[(3R,4S,6R)-3,5-diacetyloxy-6-[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(5R)-3,5-diacetyloxy-2-[3-acetyloxy-2-(acetyloxymethyl)-6-methoxy-5-methyloxan-4-yl]oxy-6-[[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl benzoate

C140H140O54 — CID 91145801

IUPAC[3,4-dibenzoyloxy-6-[[(3R,4S,6R)-3,5-diacetyloxy-6-[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(5R)-3,5-diacetyloxy-2-[3-acetyloxy-2-(acetyloxymethyl)-6-methoxy-5-methyloxan-4-yl]oxy-6-[[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl benzoate
SMILESCOC1OC(COC(C)=O)C(OC(C)=O)C(OC2OC(COC3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)[C@@H](OC(C)=O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(O[C@H]4OC(COC5OC(COC(=O)c6ccccc6)C(OC(=O)c6ccccc6)C(OC(=O)c6ccccc6)C5C)[C@@H](OC(C)=O)[C@H](OC5OC(COC(=O)c6ccccc6)C(OC(=O)c6ccccc6)C(OC(=O)c6ccccc6)C5OC(=O)c5ccccc5)C4OC(C)=O)C3OC(C)=O)C2OC(C)=O)C1C
InChIInChI=1S/C140H140O54/c1-75-105(106(169-79(5)143)97(68-162-77(3)141)176-134(75)161-12)191-137-119(173-83(9)147)116(110(172-82(8)146)103(181-137)74-168-136-118(189-132(159)95-64-42-22-43-65-95)113(187-130(157)93-60-38-20-39-61-93)111(185-128(155)91-56-34-18-35-57-91)100(178-136)71-165-124(151)87-48-26-14-27-49-87)193-138-120(174-84(10)148)115(108(170-80(6)144)98(179-138)69-163-78(4)142)192-139-121(175-85(11)149)117(109(171-81(7)145)102(182-139)73-167-135-76(2)104(183-126(153)89-52-30-16-31-53-89)107(184-127(154)90-54-32-17-33-55-90)99(177-135)70-164-123(150)86-46-24-13-25-47-86)194-140-122(190-133(160)96-66-44-23-45-67-96)114(188-131(158)94-62-40-21-41-63-94)112(186-129(156)92-58-36-19-37-59-92)101(180-140)72-166-125(152)88-50-28-15-29-51-88/h13-67,75-76,97-122,134-140H,68-74H2,1-12H3/t75?,76?,97?,98?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109-,110-,111?,112?,113?,114?,115?,116?,117+,118?,119?,120?,121?,122?,134?,135?,136?,137?,138?,139-,140?/m1/s1
InChIKeyKRFXGFVSICZVDS-RNELOWCHSA-N
MW2686.61 g/mol
LogP12.58
Rot. Bonds51

About [3,4-dibenzoyloxy-6-[[(3R,4S,6R)-3,5-diacetyloxy-6-[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(5R)-3,5-diacetyloxy-2-[3-acetyloxy-2-(acetyloxymethyl)-6-methoxy-5-methyloxan-4-yl]oxy-6-[[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl benzoate

[3,4-dibenzoyloxy-6-[[(3R,4S,6R)-3,5-diacetyloxy-6-[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(5R)-3,5-diacetyloxy-2-[3-acetyloxy-2-(acetyloxymethyl)-6-methoxy-5-methyloxan-4-yl]oxy-6-[[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl benzoate (PubChem CID 91145801) has the molecular formula C140H140O54 and a molecular weight of 2686.61 g/mol. Its IUPAC name is [3,4-dibenzoyloxy-6-[[(3R,4S,6R)-3,5-diacetyloxy-6-[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(5R)-3,5-diacetyloxy-2-[3-acetyloxy-2-(acetyloxymethyl)-6-methoxy-5-methyloxan-4-yl]oxy-6-[[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[3,4-dibenzoyloxy-6-[[(3R,4S,6R)-3,5-diacetyloxy-6-[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(5R)-3,5-diacetyloxy-2-[3-acetyloxy-2-(acetyloxymethyl)-6-methoxy-5-methyloxan-4-yl]oxy-6-[[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl benzoate
PubChem CID91145801
Molecular FormulaC140H140O54
Molecular Weight2686.61 g/mol
Exact Mass2684.82
IUPAC Name[3,4-dibenzoyloxy-6-[[(3R,4S,6R)-3,5-diacetyloxy-6-[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(5R)-3,5-diacetyloxy-2-[3-acetyloxy-2-(acetyloxymethyl)-6-methoxy-5-methyloxan-4-yl]oxy-6-[[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl benzoate
SMILESCOC1OC(COC(C)=O)C(OC(C)=O)C(OC2OC(COC3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)[C@@H](OC(C)=O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(O[C@H]4OC(COC5OC(COC(=O)c6ccccc6)C(OC(=O)c6ccccc6)C(OC(=O)c6ccccc6)C5C)[C@@H](OC(C)=O)[C@H](OC5OC(COC(=O)c6ccccc6)C(OC(=O)c6ccccc6)C(OC(=O)c6ccccc6)C5OC(=O)c5ccccc5)C4OC(C)=O)C3OC(C)=O)C2OC(C)=O)C1C
InChIInChI=1S/C140H140O54/c1-75-105(106(169-79(5)143)97(68-162-77(3)141)176-134(75)161-12)191-137-119(173-83(9)147)116(110(172-82(8)146)103(181-137)74-168-136-118(189-132(159)95-64-42-22-43-65-95)113(187-130(157)93-60-38-20-39-61-93)111(185-128(155)91-56-34-18-35-57-91)100(178-136)71-165-124(151)87-48-26-14-27-49-87)193-138-120(174-84(10)148)115(108(170-80(6)144)98(179-138)69-163-78(4)142)192-139-121(175-85(11)149)117(109(171-81(7)145)102(182-139)73-167-135-76(2)104(183-126(153)89-52-30-16-31-53-89)107(184-127(154)90-54-32-17-33-55-90)99(177-135)70-164-123(150)86-46-24-13-25-47-86)194-140-122(190-133(160)96-66-44-23-45-67-96)114(188-131(158)94-62-40-21-41-63-94)112(186-129(156)92-58-36-19-37-59-92)101(180-140)72-166-125(152)88-50-28-15-29-51-88/h13-67,75-76,97-122,134-140H,68-74H2,1-12H3/t75?,76?,97?,98?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109-,110-,111?,112?,113?,114?,115?,116?,117+,118?,119?,120?,121?,122?,134?,135?,136?,137?,138?,139-,140?/m1/s1
InChIKeyKRFXGFVSICZVDS-RNELOWCHSA-N
XLogP12.58
TPSA655.22 Ų
H-Bond Donors
H-Bond Acceptors54
Rotatable Bonds51
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002686.61
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [3,4-dibenzoyloxy-6-[[(3R,4S,6R)-3,5-diacetyloxy-6-[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(5R)-3,5-diacetyloxy-2-[3-acetyloxy-2-(acetyloxymethyl)-6-methoxy-5-methyloxan-4-yl]oxy-6-[[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl benzoate with MolForge

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Related Compounds

[(2R,3R,4S,5S,6R)-5-acetyloxy-3,4-dibenzoyloxy-6-[(2S,3S,4S,5R,6R)-3,5-dibenzoyloxy-2-methoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-2-yl]methyl benzoate
CID 101264141
[(2R,3R,4S,5S)-4-benzoyloxy-3-[(2R,3S,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]oxy-5-[[(2R,3R,4S,5S)-3,4-dibenzoyloxy-5-methoxyoxolan-2-yl]methoxy]oxolan-2-yl]methyl benzoate
CID 57380903
[3,4-dibenzoyloxy-6-[[(3R)-3,5-diacetyloxy-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl benzoate;[3,4,5-tribenzoyloxy-6-[[(3R,4S,6R)-3,5-diacetyloxy-4-[5-acetyloxy-6-(acetyloxymethyl)-3-benzoyloxy-4-hydroxyoxan-2-yl]oxy-6-[3,5-diacetyloxy-2-(acetyloxymethyl)-6-methoxyoxan-4-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methyl benzoate
CID 91580371
[(2S,3S,4R,5R,6S)-4,5-dibenzoyloxy-6-[(2S,3R,4S,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]oxy-2-methyloxan-3-yl] benzoate
CID 15173442
[(2S,3R,4R,5S)-3,4-dibenzoyloxy-5-[[(2R,3S,4R,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methoxy]oxolan-2-yl]methyl benzoate
CID 99664232
[(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-6-[(2R,3R,4S,5R,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-aminooxan-4-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl benzoate
CID 44557509
[(2R,3R,4R,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methyl benzoate
CID 100995738
[(2S,3R,4R,5S,6S)-4,5-dibenzoyloxy-2-methyl-6-[(3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate
CID 71752681
[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6S)-5-acetyloxy-3,4-dibenzoyloxy-6-methyloxan-2-yl]oxy-3,5-dibenzoyloxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl benzoate
CID 10772324
[(2R,3R,4S,5S,6R)-5,6-diacetyloxy-2-(acetyloxymethyl)-4-benzoyloxyoxan-3-yl] benzoate
CID 11237618
[(2R,3R,4S,5R,6R)-4,5-dibenzoyloxy-3-[(2S,3R,4S,5S,6R)-3,4-dibenzoyloxy-6-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxyoxan-2-yl]methyl benzoate
CID 10653886
[(3R,4S,6R)-3,5-dibenzoyloxy-4-[(2R,4S,5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[(2S,4S,5R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl benzoate
CID 140517971

Frequently Asked Questions

What is the IUPAC name of [3,4-dibenzoyloxy-6-[[(3R,4S,6R)-3,5-diacetyloxy-6-[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(5R)-3,5-diacetyloxy-2-[3-acetyloxy-2-(acetyloxymethyl)-6-methoxy-5-methyloxan-4-yl]oxy-6-[[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl benzoate?
The IUPAC name of [3,4-dibenzoyloxy-6-[[(3R,4S,6R)-3,5-diacetyloxy-6-[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(5R)-3,5-diacetyloxy-2-[3-acetyloxy-2-(acetyloxymethyl)-6-methoxy-5-methyloxan-4-yl]oxy-6-[[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl benzoate (CID 91145801) is [3,4-dibenzoyloxy-6-[[(3R,4S,6R)-3,5-diacetyloxy-6-[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(5R)-3,5-diacetyloxy-2-[3-acetyloxy-2-(acetyloxymethyl)-6-methoxy-5-methyloxan-4-yl]oxy-6-[[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl benzoate.
What is the SMILES notation for [3,4-dibenzoyloxy-6-[[(3R,4S,6R)-3,5-diacetyloxy-6-[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(5R)-3,5-diacetyloxy-2-[3-acetyloxy-2-(acetyloxymethyl)-6-methoxy-5-methyloxan-4-yl]oxy-6-[[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl benzoate?
The canonical SMILES for [3,4-dibenzoyloxy-6-[[(3R,4S,6R)-3,5-diacetyloxy-6-[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(5R)-3,5-diacetyloxy-2-[3-acetyloxy-2-(acetyloxymethyl)-6-methoxy-5-methyloxan-4-yl]oxy-6-[[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl benzoate is COC1OC(COC(C)=O)C(OC(C)=O)C(OC2OC(COC3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)[C@@H](OC(C)=O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(O[C@H]4OC(COC5OC(COC(=O)c6ccccc6)C(OC(=O)c6ccccc6)C(OC(=O)c6ccccc6)C5C)[C@@H](OC(C)=O)[C@H](OC5OC(COC(=O)c6ccccc6)C(OC(=O)c6ccccc6)C(OC(=O)c6ccccc6)C5OC(=O)c5ccccc5)C4OC(C)=O)C3OC(C)=O)C2OC(C)=O)C1C.
What is the InChIKey of [3,4-dibenzoyloxy-6-[[(3R,4S,6R)-3,5-diacetyloxy-6-[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(5R)-3,5-diacetyloxy-2-[3-acetyloxy-2-(acetyloxymethyl)-6-methoxy-5-methyloxan-4-yl]oxy-6-[[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl benzoate?
The InChIKey is KRFXGFVSICZVDS-RNELOWCHSA-N. The full InChI is InChI=1S/C140H140O54/c1-75-105(106(169-79(5)143)97(68-162-77(3)141)176-134(75)161-12)191-137-119(173-83(9)147)116(110(172-82(8)146)103(181-137)74-168-136-118(189-132(159)95-64-42-22-43-65-95)113(187-130(157)93-60-38-20-39-61-93)111(185-128(155)91-56-34-18-35-57-91)100(178-136)71-165-124(151)87-48-26-14-27-49-87)193-138-120(174-84(10)148)115(108(170-80(6)144)98(179-138)69-163-78(4)142)192-139-121(175-85(11)149)117(109(171-81(7)145)102(182-139)73-167-135-76(2)104(183-126(153)89-52-30-16-31-53-89)107(184-127(154)90-54-32-17-33-55-90)99(177-135)70-164-123(150)86-46-24-13-25-47-86)194-140-122(190-133(160)96-66-44-23-45-67-96)114(188-131(158)94-62-40-21-41-63-94)112(186-129(156)92-58-36-19-37-59-92)101(180-140)72-166-125(152)88-50-28-15-29-51-88/h13-67,75-76,97-122,134-140H,68-74H2,1-12H3/t75?,76?,97?,98?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109-,110-,111?,112?,113?,114?,115?,116?,117+,118?,119?,120?,121?,122?,134?,135?,136?,137?,138?,139-,140?/m1/s1.
What are the key properties of [3,4-dibenzoyloxy-6-[[(3R,4S,6R)-3,5-diacetyloxy-6-[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(5R)-3,5-diacetyloxy-2-[3-acetyloxy-2-(acetyloxymethyl)-6-methoxy-5-methyloxan-4-yl]oxy-6-[[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl benzoate?
[3,4-dibenzoyloxy-6-[[(3R,4S,6R)-3,5-diacetyloxy-6-[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(5R)-3,5-diacetyloxy-2-[3-acetyloxy-2-(acetyloxymethyl)-6-methoxy-5-methyloxan-4-yl]oxy-6-[[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl benzoate has a molecular weight of 2686.61 g/mol, XLogP of 12.58, 51 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dibenzoyloxy-6-[[(3R,4S,6R)-3,5-diacetyloxy-6-[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(5R)-3,5-diacetyloxy-2-[3-acetyloxy-2-(acetyloxymethyl)-6-methoxy-5-methyloxan-4-yl]oxy-6-[[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl benzoate is sourced from PubChem (CID 91145801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).