(1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one;1H-indole-5-carboxylic acid;1H-indole-6-carboxylic acid;methyl 1H-indole-5-carboxylate;methyl 1H-indole-6-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-5-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-6-carboxylate

C101H102N6O22 — CID 158534738

IUPAC(1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one;1H-indole-5-carboxylic acid;1H-indole-6-carboxylic acid;methyl 1H-indole-5-carboxylate;methyl 1H-indole-6-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-5-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-6-carboxylate
SMILESC=C1C(=O)O[C@H]2[C@H]1CC/C(CO)=C\CC[C@@]1(C)O[C@@H]21.C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)c1ccc3[nH]ccc3c1)=C\CC[C@@]1(C)O[C@@H]21.C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)c1ccc3cc[nH]c3c1)=C\CC[C@@]1(C)O[C@@H]21.COC(=O)c1ccc2[nH]ccc2c1.COC(=O)c1ccc2cc[nH]c2c1.O=C(O)c1ccc2[nH]ccc2c1.O=C(O)c1ccc2cc[nH]c2c1
InChIInChI=1S/2C24H25NO5.C15H20O4.2C10H9NO2.2C9H7NO2/c1-14-18-8-5-15(4-3-10-24(2)21(30-24)20(18)29-22(14)26)13-28-23(27)17-7-6-16-9-11-25-19(16)12-17;1-14-18-7-5-15(4-3-10-24(2)21(30-24)20(18)29-22(14)26)13-28-23(27)17-6-8-19-16(12-17)9-11-25-19;1-9-11-6-5-10(8-16)4-3-7-15(2)13(19-15)12(11)18-14(9)17;1-13-10(12)8-2-3-9-7(6-8)4-5-11-9;1-13-10(12)8-3-2-7-4-5-11-9(7)6-8;11-9(12)7-1-2-8-6(5-7)3-4-10-8;11-9(12)7-2-1-6-3-4-10-8(6)5-7/h4,6-7,9,11-12,18,20-21,25H,1,3,5,8,10,13H2,2H3;4,6,8-9,11-12,18,20-21,25H,1,3,5,7,10,13H2,2H3;4,11-13,16H,1,3,5-8H2,2H3;2*2-6,11H,1H3;2*1-5,10H,(H,11,12)/b2*15-4+;10-4+;;;;/t2*18-,20-,21-,24+;11-,12-,13-,15+;;;;/m000..../s1
InChIKeyHNUNKIBYROLCMY-DMQFKYACSA-N
MW1751.95 g/mol
LogP17.54
Rot. Bonds11

About (1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one;1H-indole-5-carboxylic acid;1H-indole-6-carboxylic acid;methyl 1H-indole-5-carboxylate;methyl 1H-indole-6-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-5-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-6-carboxylate

(1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one;1H-indole-5-carboxylic acid;1H-indole-6-carboxylic acid;methyl 1H-indole-5-carboxylate;methyl 1H-indole-6-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-5-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-6-carboxylate (PubChem CID 158534738) has the molecular formula C101H102N6O22 and a molecular weight of 1751.95 g/mol. Its IUPAC name is (1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one;1H-indole-5-carboxylic acid;1H-indole-6-carboxylic acid;methyl 1H-indole-5-carboxylate;methyl 1H-indole-6-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-5-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-6-carboxylate.

Molecular Properties

Compound Name(1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one;1H-indole-5-carboxylic acid;1H-indole-6-carboxylic acid;methyl 1H-indole-5-carboxylate;methyl 1H-indole-6-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-5-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-6-carboxylate
PubChem CID158534738
Molecular FormulaC101H102N6O22
Molecular Weight1751.95 g/mol
Exact Mass1750.70
IUPAC Name(1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one;1H-indole-5-carboxylic acid;1H-indole-6-carboxylic acid;methyl 1H-indole-5-carboxylate;methyl 1H-indole-6-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-5-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-6-carboxylate
SMILESC=C1C(=O)O[C@H]2[C@H]1CC/C(CO)=C\CC[C@@]1(C)O[C@@H]21.C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)c1ccc3[nH]ccc3c1)=C\CC[C@@]1(C)O[C@@H]21.C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)c1ccc3cc[nH]c3c1)=C\CC[C@@]1(C)O[C@@H]21.COC(=O)c1ccc2[nH]ccc2c1.COC(=O)c1ccc2cc[nH]c2c1.O=C(O)c1ccc2[nH]ccc2c1.O=C(O)c1ccc2cc[nH]c2c1
InChIInChI=1S/2C24H25NO5.C15H20O4.2C10H9NO2.2C9H7NO2/c1-14-18-8-5-15(4-3-10-24(2)21(30-24)20(18)29-22(14)26)13-28-23(27)17-7-6-16-9-11-25-19(16)12-17;1-14-18-7-5-15(4-3-10-24(2)21(30-24)20(18)29-22(14)26)13-28-23(27)17-6-8-19-16(12-17)9-11-25-19;1-9-11-6-5-10(8-16)4-3-7-15(2)13(19-15)12(11)18-14(9)17;1-13-10(12)8-2-3-9-7(6-8)4-5-11-9;1-13-10(12)8-3-2-7-4-5-11-9(7)6-8;11-9(12)7-1-2-8-6(5-7)3-4-10-8;11-9(12)7-2-1-6-3-4-10-8(6)5-7/h4,6-7,9,11-12,18,20-21,25H,1,3,5,8,10,13H2,2H3;4,6,8-9,11-12,18,20-21,25H,1,3,5,7,10,13H2,2H3;4,11-13,16H,1,3,5-8H2,2H3;2*2-6,11H,1H3;2*1-5,10H,(H,11,12)/b2*15-4+;10-4+;;;;/t2*18-,20-,21-,24+;11-,12-,13-,15+;;;;/m000..../s1
InChIKeyHNUNKIBYROLCMY-DMQFKYACSA-N
XLogP17.54
TPSA411.26 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001751.95
LogP ≤ 517.54
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one;1H-indole-5-carboxylic acid;1H-indole-6-carboxylic acid;methyl 1H-indole-5-carboxylate;methyl 1H-indole-6-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-5-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-6-carboxylate with MolForge

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Related Compounds

5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate
CID 157266905
3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;bis(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane
CID 157957851
butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate
CID 158314269
2-[2-ethyl-5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid;5-(hydroxymethyl)-1,2-dimethylindole-4-carboxylic acid;4-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]butanoic acid;5-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]pentanoic acid;3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]propanoic acid;(E)-3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]prop-2-enoic acid;2-[5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid
CID 158724779
N-(2,6-diphenylphenyl)-1-(1H-indol-7-yl)methanimine;N-(3,5-diphenylphenyl)-1-(1H-indol-7-yl)methanimine;1-(2-ethyl-1H-indol-7-yl)-N-phenylmethanimine;ethyl 7-(phenyliminomethyl)-1H-indole-2-carboxylate;1-(1H-indol-7-yl)-N-(4-phenylphenyl)methanimine;1-(1H-indol-7-yl)-N-(2,4,6-triphenylphenyl)methanimine;tris(1-(2-methyl-1H-indol-7-yl)-N-phenylmethanimine);7-(phenyliminomethyl)-1H-indole-2-carboxylic acid;N-phenyl-1-(2-phenyl-1H-indol-7-yl)methanimine
CID 159332291
4-(2,4-difluorophenyl)-2-(5-ethyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(6-ethyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(6-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(5-propan-2-yl-1H-indol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(5-propyl-1H-indol-3-yl)butanoic acid
CID 160211420
2-[2-ethyl-5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid;5-(hydroxymethyl)-1,2-dimethylindole-4-carboxylic acid;5-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]pentanoic acid;3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]propanoic acid;(E)-3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]prop-2-enoic acid;2-[5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid;propanoic acid;(1,2,4-trimethylindol-5-yl)methanol
CID 160335574
3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;tris(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane
CID 160655110
butan-2-ylbenzene;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;[4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-4-oxobutyl] 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate
CID 161165804
(2S,3S,4S,5R)-6-[4-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]-1H-indole-4-carboxylic acid;2-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]pyridine-4-carboxylic acid
CID 161317286
3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-3-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate
CID 161714972
5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate
CID 164964429

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one;1H-indole-5-carboxylic acid;1H-indole-6-carboxylic acid;methyl 1H-indole-5-carboxylate;methyl 1H-indole-6-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-5-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-6-carboxylate?
The IUPAC name of (1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one;1H-indole-5-carboxylic acid;1H-indole-6-carboxylic acid;methyl 1H-indole-5-carboxylate;methyl 1H-indole-6-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-5-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-6-carboxylate (CID 158534738) is (1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one;1H-indole-5-carboxylic acid;1H-indole-6-carboxylic acid;methyl 1H-indole-5-carboxylate;methyl 1H-indole-6-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-5-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-6-carboxylate.
What is the SMILES notation for (1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one;1H-indole-5-carboxylic acid;1H-indole-6-carboxylic acid;methyl 1H-indole-5-carboxylate;methyl 1H-indole-6-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-5-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-6-carboxylate?
The canonical SMILES for (1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one;1H-indole-5-carboxylic acid;1H-indole-6-carboxylic acid;methyl 1H-indole-5-carboxylate;methyl 1H-indole-6-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-5-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-6-carboxylate is C=C1C(=O)O[C@H]2[C@H]1CC/C(CO)=C\CC[C@@]1(C)O[C@@H]21.C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)c1ccc3[nH]ccc3c1)=C\CC[C@@]1(C)O[C@@H]21.C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)c1ccc3cc[nH]c3c1)=C\CC[C@@]1(C)O[C@@H]21.COC(=O)c1ccc2[nH]ccc2c1.COC(=O)c1ccc2cc[nH]c2c1.O=C(O)c1ccc2[nH]ccc2c1.O=C(O)c1ccc2cc[nH]c2c1.
What is the InChIKey of (1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one;1H-indole-5-carboxylic acid;1H-indole-6-carboxylic acid;methyl 1H-indole-5-carboxylate;methyl 1H-indole-6-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-5-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-6-carboxylate?
The InChIKey is HNUNKIBYROLCMY-DMQFKYACSA-N. The full InChI is InChI=1S/2C24H25NO5.C15H20O4.2C10H9NO2.2C9H7NO2/c1-14-18-8-5-15(4-3-10-24(2)21(30-24)20(18)29-22(14)26)13-28-23(27)17-7-6-16-9-11-25-19(16)12-17;1-14-18-7-5-15(4-3-10-24(2)21(30-24)20(18)29-22(14)26)13-28-23(27)17-6-8-19-16(12-17)9-11-25-19;1-9-11-6-5-10(8-16)4-3-7-15(2)13(19-15)12(11)18-14(9)17;1-13-10(12)8-2-3-9-7(6-8)4-5-11-9;1-13-10(12)8-3-2-7-4-5-11-9(7)6-8;11-9(12)7-1-2-8-6(5-7)3-4-10-8;11-9(12)7-2-1-6-3-4-10-8(6)5-7/h4,6-7,9,11-12,18,20-21,25H,1,3,5,8,10,13H2,2H3;4,6,8-9,11-12,18,20-21,25H,1,3,5,7,10,13H2,2H3;4,11-13,16H,1,3,5-8H2,2H3;2*2-6,11H,1H3;2*1-5,10H,(H,11,12)/b2*15-4+;10-4+;;;;/t2*18-,20-,21-,24+;11-,12-,13-,15+;;;;/m000..../s1.
What are the key properties of (1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one;1H-indole-5-carboxylic acid;1H-indole-6-carboxylic acid;methyl 1H-indole-5-carboxylate;methyl 1H-indole-6-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-5-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-6-carboxylate?
(1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one;1H-indole-5-carboxylic acid;1H-indole-6-carboxylic acid;methyl 1H-indole-5-carboxylate;methyl 1H-indole-6-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-5-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-6-carboxylate has a molecular weight of 1751.95 g/mol, XLogP of 17.54, 11 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one;1H-indole-5-carboxylic acid;1H-indole-6-carboxylic acid;methyl 1H-indole-5-carboxylate;methyl 1H-indole-6-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-5-carboxylate;[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl 1H-indole-6-carboxylate is sourced from PubChem (CID 158534738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).