(1'R,2'R,6'R,7'R,11'S,12'S,13'S,18'S)-2',6',9',9',18'-pentamethyl-15'-phenylspiro[1,3-dioxolane-2,3'-8,10,14,16,19-pentaoxapentacyclo[11.6.0.01,6.07,11.012,18]nonadecane]

C27H36O7 — CID 11431396

IUPAC(1'R,2'R,6'R,7'R,11'S,12'S,13'S,18'S)-2',6',9',9',18'-pentamethyl-15'-phenylspiro[1,3-dioxolane-2,3'-8,10,14,16,19-pentaoxapentacyclo[11.6.0.01,6.07,11.012,18]nonadecane]
SMILESC[C@H]1C2(CC[C@]3(C)[C@H]4OC(C)(C)O[C@H]4[C@H]4[C@@H]5OC(c6ccccc6)OC[C@@]4(C)O[C@]513)OCCO2
InChIInChI=1S/C27H36O7/c1-16-26(29-13-14-30-26)12-11-24(4)21-19(32-23(2,3)33-21)18-20-27(16,24)34-25(18,5)15-28-22(31-20)17-9-7-6-8-10-17/h6-10,16,18-22H,11-15H2,1-5H3/t16-,18-,19-,20-,21-,22?,24+,25+,27-/m0/s1
InChIKeyMOIVHIJIPLJNTL-LCDNQKHGSA-N
MW472.58 g/mol
LogP3.96
Rot. Bonds1

About (1'R,2'R,6'R,7'R,11'S,12'S,13'S,18'S)-2',6',9',9',18'-pentamethyl-15'-phenylspiro[1,3-dioxolane-2,3'-8,10,14,16,19-pentaoxapentacyclo[11.6.0.01,6.07,11.012,18]nonadecane]

(1'R,2'R,6'R,7'R,11'S,12'S,13'S,18'S)-2',6',9',9',18'-pentamethyl-15'-phenylspiro[1,3-dioxolane-2,3'-8,10,14,16,19-pentaoxapentacyclo[11.6.0.01,6.07,11.012,18]nonadecane] (PubChem CID 11431396) has the molecular formula C27H36O7 and a molecular weight of 472.58 g/mol. Its IUPAC name is (1'R,2'R,6'R,7'R,11'S,12'S,13'S,18'S)-2',6',9',9',18'-pentamethyl-15'-phenylspiro[1,3-dioxolane-2,3'-8,10,14,16,19-pentaoxapentacyclo[11.6.0.01,6.07,11.012,18]nonadecane].

Molecular Properties

Compound Name(1'R,2'R,6'R,7'R,11'S,12'S,13'S,18'S)-2',6',9',9',18'-pentamethyl-15'-phenylspiro[1,3-dioxolane-2,3'-8,10,14,16,19-pentaoxapentacyclo[11.6.0.01,6.07,11.012,18]nonadecane]
PubChem CID11431396
Molecular FormulaC27H36O7
Molecular Weight472.58 g/mol
Exact Mass472.25
IUPAC Name(1'R,2'R,6'R,7'R,11'S,12'S,13'S,18'S)-2',6',9',9',18'-pentamethyl-15'-phenylspiro[1,3-dioxolane-2,3'-8,10,14,16,19-pentaoxapentacyclo[11.6.0.01,6.07,11.012,18]nonadecane]
SMILESC[C@H]1C2(CC[C@]3(C)[C@H]4OC(C)(C)O[C@H]4[C@H]4[C@@H]5OC(c6ccccc6)OC[C@@]4(C)O[C@]513)OCCO2
InChIInChI=1S/C27H36O7/c1-16-26(29-13-14-30-26)12-11-24(4)21-19(32-23(2,3)33-21)18-20-27(16,24)34-25(18,5)15-28-22(31-20)17-9-7-6-8-10-17/h6-10,16,18-22H,11-15H2,1-5H3/t16-,18-,19-,20-,21-,22?,24+,25+,27-/m0/s1
InChIKeyMOIVHIJIPLJNTL-LCDNQKHGSA-N
XLogP3.96
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.58
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1'R,2'R,6'R,7'R,11'S,12'S,13'S,18'S)-2',6',9',9',18'-pentamethyl-15'-phenylspiro[1,3-dioxolane-2,3'-8,10,14,16,19-pentaoxapentacyclo[11.6.0.01,6.07,11.012,18]nonadecane] with MolForge

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Related Compounds

N-[(1S,2R,6S,7S,9S,12R)-9-hydroxy-4,4-dimethyl-12-phenyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide
CID 11199281
(1R,7R)-4,4-dimethyl-1-phenyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decane
CID 177342402
(2S,4R,5S)-4-(hydroxymethyl)-5-methyl-2-phenyl-1,3-dioxan-5-ol
CID 11736231
(1S,7S)-4,7-dimethyl-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 58607175
1-[(1S,3R,6R,8S,10R,12S)-3-methyl-13-methylidene-6-phenyl-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]ethanone
CID 16720781
4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane
CID 68896314
(2R,4R,5R,7R,10R)-5-methyl-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 118103900
(4R)-5,5-dimethyl-2-phenyl-1,3-dioxane-4-carbaldehyde
CID 86628866
(6aR,8S,10aS)-2,4-dihydroxy-10a-methyl-8-phenyl-6a,10-dihydro-6H-[1,3]dioxino[5,4-f][1,3,5,2,4]trioxadiphosphocine 2,4-dioxide
CID 11291516
(1S,3R,6R,8S,10R,12S,13R)-12-ethenyl-1,3,12-trimethyl-6-phenyl-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-ol
CID 11222143
1-[(3'aS,4R,5'R,6'S,6'aS)-6'-hydroxy-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,4'-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole]-5'-yl]-3-benzylthiourea
CID 10070034
(1'R,4S,5'S)-6',6'-dimethyl-2-phenylspiro[1,3-dioxolane-4,2'-bicyclo[3.1.1]heptane]
CID 11322877

Frequently Asked Questions

What is the IUPAC name of (1'R,2'R,6'R,7'R,11'S,12'S,13'S,18'S)-2',6',9',9',18'-pentamethyl-15'-phenylspiro[1,3-dioxolane-2,3'-8,10,14,16,19-pentaoxapentacyclo[11.6.0.01,6.07,11.012,18]nonadecane]?
The IUPAC name of (1'R,2'R,6'R,7'R,11'S,12'S,13'S,18'S)-2',6',9',9',18'-pentamethyl-15'-phenylspiro[1,3-dioxolane-2,3'-8,10,14,16,19-pentaoxapentacyclo[11.6.0.01,6.07,11.012,18]nonadecane] (CID 11431396) is (1'R,2'R,6'R,7'R,11'S,12'S,13'S,18'S)-2',6',9',9',18'-pentamethyl-15'-phenylspiro[1,3-dioxolane-2,3'-8,10,14,16,19-pentaoxapentacyclo[11.6.0.01,6.07,11.012,18]nonadecane].
What is the SMILES notation for (1'R,2'R,6'R,7'R,11'S,12'S,13'S,18'S)-2',6',9',9',18'-pentamethyl-15'-phenylspiro[1,3-dioxolane-2,3'-8,10,14,16,19-pentaoxapentacyclo[11.6.0.01,6.07,11.012,18]nonadecane]?
The canonical SMILES for (1'R,2'R,6'R,7'R,11'S,12'S,13'S,18'S)-2',6',9',9',18'-pentamethyl-15'-phenylspiro[1,3-dioxolane-2,3'-8,10,14,16,19-pentaoxapentacyclo[11.6.0.01,6.07,11.012,18]nonadecane] is C[C@H]1C2(CC[C@]3(C)[C@H]4OC(C)(C)O[C@H]4[C@H]4[C@@H]5OC(c6ccccc6)OC[C@@]4(C)O[C@]513)OCCO2.
What is the InChIKey of (1'R,2'R,6'R,7'R,11'S,12'S,13'S,18'S)-2',6',9',9',18'-pentamethyl-15'-phenylspiro[1,3-dioxolane-2,3'-8,10,14,16,19-pentaoxapentacyclo[11.6.0.01,6.07,11.012,18]nonadecane]?
The InChIKey is MOIVHIJIPLJNTL-LCDNQKHGSA-N. The full InChI is InChI=1S/C27H36O7/c1-16-26(29-13-14-30-26)12-11-24(4)21-19(32-23(2,3)33-21)18-20-27(16,24)34-25(18,5)15-28-22(31-20)17-9-7-6-8-10-17/h6-10,16,18-22H,11-15H2,1-5H3/t16-,18-,19-,20-,21-,22?,24+,25+,27-/m0/s1.
What are the key properties of (1'R,2'R,6'R,7'R,11'S,12'S,13'S,18'S)-2',6',9',9',18'-pentamethyl-15'-phenylspiro[1,3-dioxolane-2,3'-8,10,14,16,19-pentaoxapentacyclo[11.6.0.01,6.07,11.012,18]nonadecane]?
(1'R,2'R,6'R,7'R,11'S,12'S,13'S,18'S)-2',6',9',9',18'-pentamethyl-15'-phenylspiro[1,3-dioxolane-2,3'-8,10,14,16,19-pentaoxapentacyclo[11.6.0.01,6.07,11.012,18]nonadecane] has a molecular weight of 472.58 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'R,6'R,7'R,11'S,12'S,13'S,18'S)-2',6',9',9',18'-pentamethyl-15'-phenylspiro[1,3-dioxolane-2,3'-8,10,14,16,19-pentaoxapentacyclo[11.6.0.01,6.07,11.012,18]nonadecane] is sourced from PubChem (CID 11431396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).