(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38R,39S,40R,41R,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-37,39,41,43,45,47,49-heptakis(3-octylsulfanylpropoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol

C133H259N7O28S14 — CID 51346479

IUPAC(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38R,39S,40R,41R,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-37,39,41,43,45,47,49-heptakis(3-octylsulfanylpropoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol
SMILESCCCCCCCCSCCCO[C@@H]1[C@@H]2O[C@@H]3[C@@H](O)[C@@H](OCCCSCCCCCCCC)[C@H](O[C@@H]4[C@@H](O)[C@H](OCCCSCCCCCCCC)[C@H](O[C@@H]5[C@@H](O)[C@H](OCCCSCCCCCCCC)[C@H](O[C@@H]6[C@@H](O)[C@H](OCCCSCCCCCCCC)[C@H](O[C@@H]7[C@@H](O)[C@H](OCCCSCCCCCCCC)[C@H](O[C@@H]8[C@@H](O)[C@H](OCCCSCCCCCCCC)[C@H](O[C@H]([C@H]1O)[C@H](CSCCN)O2)O[C@H]8CSCCN)O[C@H]7CSCCN)O[C@H]6CSCCN)O[C@H]5CSCCN)O[C@H]4CSCCN)O[C@H]3CSCCN
InChIInChI=1S/C133H259N7O28S14/c1-8-15-22-29-36-43-71-169-78-50-64-148-120-106(141)113-99(92-176-85-57-134)155-127(120)162-114-100(93-177-86-58-135)156-129(121(107(114)142)149-65-51-79-170-72-44-37-30-23-16-9-2)164-116-102(95-179-88-60-137)158-131(123(109(116)144)151-67-53-81-172-74-46-39-32-25-18-11-4)166-118-104(97-181-90-62-139)160-133(125(111(118)146)153-69-55-83-174-76-48-41-34-27-20-13-6)168-119-105(98-182-91-63-140)161-132(126(112(119)147)154-70-56-84-175-77-49-42-35-28-21-14-7)167-117-103(96-180-89-61-138)159-130(124(110(117)145)152-68-54-82-173-75-47-40-33-26-19-12-5)165-115-101(94-178-87-59-136)157-128(163-113)122(108(115)143)150-66-52-80-171-73-45-38-31-24-17-10-3/h99-133,141-147H,8-98,134-140H2,1-7H3/t99-,100-,101-,102-,103-,104-,105-,106+,107+,108+,109+,110+,111+,112+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126+,127-,128-,129-,130-,131-,132-,133-/m0/s1
InChIKeyROVRPVBCXDLLRZ-AUWACOJSSA-N
MW2853.49 g/mol
LogP21.22
Rot. Bonds112

About (1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38R,39S,40R,41R,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-37,39,41,43,45,47,49-heptakis(3-octylsulfanylpropoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol

(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38R,39S,40R,41R,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-37,39,41,43,45,47,49-heptakis(3-octylsulfanylpropoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol (PubChem CID 51346479) has the molecular formula C133H259N7O28S14 and a molecular weight of 2853.49 g/mol. Its IUPAC name is (1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38R,39S,40R,41R,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-37,39,41,43,45,47,49-heptakis(3-octylsulfanylpropoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol.

Molecular Properties

Compound Name(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38R,39S,40R,41R,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-37,39,41,43,45,47,49-heptakis(3-octylsulfanylpropoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol
PubChem CID51346479
Molecular FormulaC133H259N7O28S14
Molecular Weight2853.49 g/mol
Exact Mass2850.51
IUPAC Name(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38R,39S,40R,41R,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-37,39,41,43,45,47,49-heptakis(3-octylsulfanylpropoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol
SMILESCCCCCCCCSCCCO[C@@H]1[C@@H]2O[C@@H]3[C@@H](O)[C@@H](OCCCSCCCCCCCC)[C@H](O[C@@H]4[C@@H](O)[C@H](OCCCSCCCCCCCC)[C@H](O[C@@H]5[C@@H](O)[C@H](OCCCSCCCCCCCC)[C@H](O[C@@H]6[C@@H](O)[C@H](OCCCSCCCCCCCC)[C@H](O[C@@H]7[C@@H](O)[C@H](OCCCSCCCCCCCC)[C@H](O[C@@H]8[C@@H](O)[C@H](OCCCSCCCCCCCC)[C@H](O[C@H]([C@H]1O)[C@H](CSCCN)O2)O[C@H]8CSCCN)O[C@H]7CSCCN)O[C@H]6CSCCN)O[C@H]5CSCCN)O[C@H]4CSCCN)O[C@H]3CSCCN
InChIInChI=1S/C133H259N7O28S14/c1-8-15-22-29-36-43-71-169-78-50-64-148-120-106(141)113-99(92-176-85-57-134)155-127(120)162-114-100(93-177-86-58-135)156-129(121(107(114)142)149-65-51-79-170-72-44-37-30-23-16-9-2)164-116-102(95-179-88-60-137)158-131(123(109(116)144)151-67-53-81-172-74-46-39-32-25-18-11-4)166-118-104(97-181-90-62-139)160-133(125(111(118)146)153-69-55-83-174-76-48-41-34-27-20-13-6)168-119-105(98-182-91-63-140)161-132(126(112(119)147)154-70-56-84-175-77-49-42-35-28-21-14-7)167-117-103(96-180-89-61-138)159-130(124(110(117)145)152-68-54-82-173-75-47-40-33-26-19-12-5)165-115-101(94-178-87-59-136)157-128(163-113)122(108(115)143)150-66-52-80-171-73-45-38-31-24-17-10-3/h99-133,141-147H,8-98,134-140H2,1-7H3/t99-,100-,101-,102-,103-,104-,105-,106+,107+,108+,109+,110+,111+,112+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126+,127-,128-,129-,130-,131-,132-,133-/m0/s1
InChIKeyROVRPVBCXDLLRZ-AUWACOJSSA-N
XLogP21.22
TPSA517.58 Ų
H-Bond Donors14
H-Bond Acceptors49
Rotatable Bonds112
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002853.49
LogP ≤ 521.22
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze (1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38R,39S,40R,41R,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-37,39,41,43,45,47,49-heptakis(3-octylsulfanylpropoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol with MolForge

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Related Compounds

methyl 3-[3-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38R,39S,40R,41S,42R,43S,44R,45R,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-36,38,40,42,44,46,48-heptahydroxy-39,41,43,45,47,49-hexakis[3-(3-methoxy-3-oxopropyl)sulfanylpropoxy]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-37-yl]oxy]propylsulfanyl]propanoate;heptakis(2,2,2-trifluoroacetic acid)
CID 51346480
(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(9-aminononylsulfanylmethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
CID 42599836
2-[[(2S,3S,4S,5R,6R)-6-[(2R,3S,4S,5S,6S)-6-(2-aminoethylsulfanylmethyl)-3,4,5-trihexoxyoxan-2-yl]oxy-3,4,5-trihexoxyoxan-2-yl]methylsulfanyl]ethanamine
CID 118724522
(1S,3R,5S,6S,8R,10S,11S,13R,15S,16S,18R,20S,21S,23R,25S,26S,28R,30S,31S,33R,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
CID 11579103
3-[4-[[(1S,3R,5S,6S,8R,10S,11S,13R,15S,16S,18R,20S,21S,23R,25S,26S,28R,30S,31S,33R,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-39,41,43,45,47,49-hexakis[[1-(3-azaniumylpropyl)triazol-4-yl]methoxy]-5,10,15,20,25,30,35-heptakis(dodecylsulfanylmethyl)-36,38,40,42,44,46,48-heptahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-37-yl]oxymethyl]triazol-1-yl]propylazanium
CID 102486536
(1S,3R,5S,6S,8R,10S,11S,13R,15S,16S,18R,20S,21S,23R,25S,26S,28R,30S,31S,33R,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(4-aminobutylsulfanylmethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
CID 11651134
(2S,3R,4S,5R,6S)-6-(hexadecylsulfanylmethyl)oxane-2,3,4,5-tetrol
CID 100973213
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46S,47R,48R,49R)-47-(5-aminopentoxy)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,48,49-tridecol
CID 10260790
2-undecylsulfanylethanamine
CID 57215239
(2R,3R,4S,5R,6R)-4-dodecoxy-2-(hydroxymethyl)-5,6-dioctoxyoxan-3-ol
CID 101366680
(2S,3R,4S,5S,6S)-2-methoxy-6-(octylsulfanylmethyl)oxane-3,4,5-triol
CID 15690331
(1S,3R,6S,8S,11S,13S,16S,18S,21S,23R,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-20-(2-aminoethylsulfanylmethyl)-5-(4,6-diiminononylsulfanylmethyl)-10,15,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
CID 158447050

Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38R,39S,40R,41R,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-37,39,41,43,45,47,49-heptakis(3-octylsulfanylpropoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol?
The IUPAC name of (1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38R,39S,40R,41R,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-37,39,41,43,45,47,49-heptakis(3-octylsulfanylpropoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol (CID 51346479) is (1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38R,39S,40R,41R,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-37,39,41,43,45,47,49-heptakis(3-octylsulfanylpropoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol.
What is the SMILES notation for (1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38R,39S,40R,41R,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-37,39,41,43,45,47,49-heptakis(3-octylsulfanylpropoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol?
The canonical SMILES for (1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38R,39S,40R,41R,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-37,39,41,43,45,47,49-heptakis(3-octylsulfanylpropoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol is CCCCCCCCSCCCO[C@@H]1[C@@H]2O[C@@H]3[C@@H](O)[C@@H](OCCCSCCCCCCCC)[C@H](O[C@@H]4[C@@H](O)[C@H](OCCCSCCCCCCCC)[C@H](O[C@@H]5[C@@H](O)[C@H](OCCCSCCCCCCCC)[C@H](O[C@@H]6[C@@H](O)[C@H](OCCCSCCCCCCCC)[C@H](O[C@@H]7[C@@H](O)[C@H](OCCCSCCCCCCCC)[C@H](O[C@@H]8[C@@H](O)[C@H](OCCCSCCCCCCCC)[C@H](O[C@H]([C@H]1O)[C@H](CSCCN)O2)O[C@H]8CSCCN)O[C@H]7CSCCN)O[C@H]6CSCCN)O[C@H]5CSCCN)O[C@H]4CSCCN)O[C@H]3CSCCN.
What is the InChIKey of (1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38R,39S,40R,41R,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-37,39,41,43,45,47,49-heptakis(3-octylsulfanylpropoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol?
The InChIKey is ROVRPVBCXDLLRZ-AUWACOJSSA-N. The full InChI is InChI=1S/C133H259N7O28S14/c1-8-15-22-29-36-43-71-169-78-50-64-148-120-106(141)113-99(92-176-85-57-134)155-127(120)162-114-100(93-177-86-58-135)156-129(121(107(114)142)149-65-51-79-170-72-44-37-30-23-16-9-2)164-116-102(95-179-88-60-137)158-131(123(109(116)144)151-67-53-81-172-74-46-39-32-25-18-11-4)166-118-104(97-181-90-62-139)160-133(125(111(118)146)153-69-55-83-174-76-48-41-34-27-20-13-6)168-119-105(98-182-91-63-140)161-132(126(112(119)147)154-70-56-84-175-77-49-42-35-28-21-14-7)167-117-103(96-180-89-61-138)159-130(124(110(117)145)152-68-54-82-173-75-47-40-33-26-19-12-5)165-115-101(94-178-87-59-136)157-128(163-113)122(108(115)143)150-66-52-80-171-73-45-38-31-24-17-10-3/h99-133,141-147H,8-98,134-140H2,1-7H3/t99-,100-,101-,102-,103-,104-,105-,106+,107+,108+,109+,110+,111+,112+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126+,127-,128-,129-,130-,131-,132-,133-/m0/s1.
What are the key properties of (1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38R,39S,40R,41R,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-37,39,41,43,45,47,49-heptakis(3-octylsulfanylpropoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol?
(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38R,39S,40R,41R,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-37,39,41,43,45,47,49-heptakis(3-octylsulfanylpropoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol has a molecular weight of 2853.49 g/mol, XLogP of 21.22, 112 rotatable bonds, 14 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37S,38R,39S,40R,41R,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(2-aminoethylsulfanylmethyl)-37,39,41,43,45,47,49-heptakis(3-octylsulfanylpropoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol is sourced from PubChem (CID 51346479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).