6,11,18,23,29,34-hexatert-butyl-37,38-dihydroxy-2,14-dioxanonacyclo[30.3.1.11,4.19,13.113,16.121,25.127,31.03,8.015,20]hentetraconta-3,5,7,9,11,15,17,19,21,23,25(38),27(37),28,30,32,34-hexadecaene-36,40-dione

C63H74O6 — CID 10533823

IUPAC6,11,18,23,29,34-hexatert-butyl-37,38-dihydroxy-2,14-dioxanonacyclo[30.3.1.11,4.19,13.113,16.121,25.127,31.03,8.015,20]hentetraconta-3,5,7,9,11,15,17,19,21,23,25(38),27(37),28,30,32,34-hexadecaene-36,40-dione
SMILESCC(C)(C)C1=CC23Cc4cc(C(C)(C)C)cc(c4O2)C2=CC(C(C)(C)C)=CC4(Cc5cc(C(C)(C)C)cc(c5O4)-c4cc(C(C)(C)C)cc(c4O)Cc4cc(C(C)(C)C)cc(c4O)C(=C1)C3=O)C2=O
InChIInChI=1S/C63H74O6/c1-56(2,3)38-20-34-19-35-21-39(57(4,5)6)25-45(51(35)65)48-28-42(60(13,14)15)32-62(54(48)66)31-37-23-41(59(10,11)12)27-47(53(37)69-62)49-29-43(61(16,17)18)33-63(55(49)67)30-36-22-40(58(7,8)9)26-46(52(36)68-63)44(24-38)50(34)64/h20-29,32-33,64-65H,19,30-31H2,1-18H3
InChIKeyOTFWPWDDGYWBGD-UHFFFAOYSA-N
MW927.28 g/mol
LogP14.48
Rot. Bonds

About 6,11,18,23,29,34-hexatert-butyl-37,38-dihydroxy-2,14-dioxanonacyclo[30.3.1.11,4.19,13.113,16.121,25.127,31.03,8.015,20]hentetraconta-3,5,7,9,11,15,17,19,21,23,25(38),27(37),28,30,32,34-hexadecaene-36,40-dione

6,11,18,23,29,34-hexatert-butyl-37,38-dihydroxy-2,14-dioxanonacyclo[30.3.1.11,4.19,13.113,16.121,25.127,31.03,8.015,20]hentetraconta-3,5,7,9,11,15,17,19,21,23,25(38),27(37),28,30,32,34-hexadecaene-36,40-dione (PubChem CID 10533823) has the molecular formula C63H74O6 and a molecular weight of 927.28 g/mol. Its IUPAC name is 6,11,18,23,29,34-hexatert-butyl-37,38-dihydroxy-2,14-dioxanonacyclo[30.3.1.11,4.19,13.113,16.121,25.127,31.03,8.015,20]hentetraconta-3,5,7,9,11,15,17,19,21,23,25(38),27(37),28,30,32,34-hexadecaene-36,40-dione.

Molecular Properties

Compound Name6,11,18,23,29,34-hexatert-butyl-37,38-dihydroxy-2,14-dioxanonacyclo[30.3.1.11,4.19,13.113,16.121,25.127,31.03,8.015,20]hentetraconta-3,5,7,9,11,15,17,19,21,23,25(38),27(37),28,30,32,34-hexadecaene-36,40-dione
PubChem CID10533823
Molecular FormulaC63H74O6
Molecular Weight927.28 g/mol
Exact Mass926.55
IUPAC Name6,11,18,23,29,34-hexatert-butyl-37,38-dihydroxy-2,14-dioxanonacyclo[30.3.1.11,4.19,13.113,16.121,25.127,31.03,8.015,20]hentetraconta-3,5,7,9,11,15,17,19,21,23,25(38),27(37),28,30,32,34-hexadecaene-36,40-dione
SMILESCC(C)(C)C1=CC23Cc4cc(C(C)(C)C)cc(c4O2)C2=CC(C(C)(C)C)=CC4(Cc5cc(C(C)(C)C)cc(c5O4)-c4cc(C(C)(C)C)cc(c4O)Cc4cc(C(C)(C)C)cc(c4O)C(=C1)C3=O)C2=O
InChIInChI=1S/C63H74O6/c1-56(2,3)38-20-34-19-35-21-39(57(4,5)6)25-45(51(35)65)48-28-42(60(13,14)15)32-62(54(48)66)31-37-23-41(59(10,11)12)27-47(53(37)69-62)49-29-43(61(16,17)18)33-63(55(49)67)30-36-22-40(58(7,8)9)26-46(52(36)68-63)44(24-38)50(34)64/h20-29,32-33,64-65H,19,30-31H2,1-18H3
InChIKeyOTFWPWDDGYWBGD-UHFFFAOYSA-N
XLogP14.48
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.28
LogP ≤ 514.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6,11,18,23,29,34-hexatert-butyl-37,38-dihydroxy-2,14-dioxanonacyclo[30.3.1.11,4.19,13.113,16.121,25.127,31.03,8.015,20]hentetraconta-3,5,7,9,11,15,17,19,21,23,25(38),27(37),28,30,32,34-hexadecaene-36,40-dione with MolForge

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Related Compounds

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CID 25240335
5,11,17,23-tetratert-butyl-25,26,27,28-tetrahydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-2,8-dione
CID 11250957
(1R,17S,27S,28R)-6,12,19,25-tetratert-butyl-2,16-dioxaheptacyclo[21.3.1.11,4.114,17.117,21.03,8.010,15]triaconta-3(8),4,6,10(15),11,13,18,20,23,25-decaene-27,28-diol
CID 11767464
4,9,15,21-tetratert-butyl-26-methoxypentacyclo[17.3.1.12,6.17,11.113,17]hexacosa-1(22),2(26),3,5,7,9,11(25),13,15,17(24),19(23),20-dodecaene-23,24,25-triol
CID 102409898
5,11,26,32,38,44,59,65-octatert-butyl-79,80-dihydroxy-15,22,48,55,68,75-hexaoxadodecacyclo[34.30.10.13,7.113,57.124,46.130,34.09,14.023,28.040,76.042,47.056,61.063,67]octaconta-1(67),3,5,7(80),9(14),10,12,23(28),24,26,30(79),31,33,36(76),37,39,42,44,46,56,58,60,63,65-tetracosaene-16,21,49,54,69,74-hexone
CID 122388867
4,24,29,35-tetratert-butyl-14-oxaoctacyclo[31.3.1.12,6.122,26.127,31.08,13.012,16.015,20]tetraconta-1(36),2,4,6(40),8(13),9,11,15(20),16,18,22(39),23,25,27,29,31(38),33(37),34-octadecaene-37,38,39,40-tetrol
CID 101124444
(1R,14S,27S,29R)-6,12,19,25-tetratert-butyl-9,22,27,29-tetradeuterio-2,15-dioxaheptacyclo[21.3.1.11,4.110,14.114,17.03,8.016,21]triaconta-3(8),4,6,10,12,16(21),17,19,23,25-decaene-27,29-diol
CID 25241587
5,11,17,23,29,35,41,47-octatert-butyl-50,55-dioxadecacyclo[23.23.8.13,7.19,13.115,19.127,31.133,37.139,43.021,56.045,49]dohexaconta-1(48),3,5,7(62),9,11,13(61),15(60),16,18,21,23,25(56),27,29,31(59),33(58),34,36,39(57),40,42,45(49),46-tetracosaene-57,58,59,60,61,62-hexol
CID 102572376
3,9,15,23',29',34,35',40'-octatert-butyl-38,39,44',45'-tetrahydroxyspiro[19,29-dioxa-22,26-diazahexacyclo[15.13.7.17,11.132,36.05,30.013,18]nonatriaconta-1,3,5(30),7,9,11(39),13(18),14,16,32,34,36(38)-dodecaene-24,11'-3,19-dioxa-6,9,13,16-tetrazahexacyclo[19.15.7.127,31.138,42.02,33.020,25]pentatetraconta-1,20,22,24,27(45),28,30,33,35,38,40,42(44)-dodecaene]-5',17',21,27-tetrone
CID 102036450
5-tert-butylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 10767079
bis(acetonitrile);5,11,17,23,29,35-hexatert-butylheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol
CID 139198668
5,11,17,23,29-pentatert-butyl-35-fluorohexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34-tetrol
CID 10843102

Frequently Asked Questions

What is the IUPAC name of 6,11,18,23,29,34-hexatert-butyl-37,38-dihydroxy-2,14-dioxanonacyclo[30.3.1.11,4.19,13.113,16.121,25.127,31.03,8.015,20]hentetraconta-3,5,7,9,11,15,17,19,21,23,25(38),27(37),28,30,32,34-hexadecaene-36,40-dione?
The IUPAC name of 6,11,18,23,29,34-hexatert-butyl-37,38-dihydroxy-2,14-dioxanonacyclo[30.3.1.11,4.19,13.113,16.121,25.127,31.03,8.015,20]hentetraconta-3,5,7,9,11,15,17,19,21,23,25(38),27(37),28,30,32,34-hexadecaene-36,40-dione (CID 10533823) is 6,11,18,23,29,34-hexatert-butyl-37,38-dihydroxy-2,14-dioxanonacyclo[30.3.1.11,4.19,13.113,16.121,25.127,31.03,8.015,20]hentetraconta-3,5,7,9,11,15,17,19,21,23,25(38),27(37),28,30,32,34-hexadecaene-36,40-dione.
What is the SMILES notation for 6,11,18,23,29,34-hexatert-butyl-37,38-dihydroxy-2,14-dioxanonacyclo[30.3.1.11,4.19,13.113,16.121,25.127,31.03,8.015,20]hentetraconta-3,5,7,9,11,15,17,19,21,23,25(38),27(37),28,30,32,34-hexadecaene-36,40-dione?
The canonical SMILES for 6,11,18,23,29,34-hexatert-butyl-37,38-dihydroxy-2,14-dioxanonacyclo[30.3.1.11,4.19,13.113,16.121,25.127,31.03,8.015,20]hentetraconta-3,5,7,9,11,15,17,19,21,23,25(38),27(37),28,30,32,34-hexadecaene-36,40-dione is CC(C)(C)C1=CC23Cc4cc(C(C)(C)C)cc(c4O2)C2=CC(C(C)(C)C)=CC4(Cc5cc(C(C)(C)C)cc(c5O4)-c4cc(C(C)(C)C)cc(c4O)Cc4cc(C(C)(C)C)cc(c4O)C(=C1)C3=O)C2=O.
What is the InChIKey of 6,11,18,23,29,34-hexatert-butyl-37,38-dihydroxy-2,14-dioxanonacyclo[30.3.1.11,4.19,13.113,16.121,25.127,31.03,8.015,20]hentetraconta-3,5,7,9,11,15,17,19,21,23,25(38),27(37),28,30,32,34-hexadecaene-36,40-dione?
The InChIKey is OTFWPWDDGYWBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H74O6/c1-56(2,3)38-20-34-19-35-21-39(57(4,5)6)25-45(51(35)65)48-28-42(60(13,14)15)32-62(54(48)66)31-37-23-41(59(10,11)12)27-47(53(37)69-62)49-29-43(61(16,17)18)33-63(55(49)67)30-36-22-40(58(7,8)9)26-46(52(36)68-63)44(24-38)50(34)64/h20-29,32-33,64-65H,19,30-31H2,1-18H3.
What are the key properties of 6,11,18,23,29,34-hexatert-butyl-37,38-dihydroxy-2,14-dioxanonacyclo[30.3.1.11,4.19,13.113,16.121,25.127,31.03,8.015,20]hentetraconta-3,5,7,9,11,15,17,19,21,23,25(38),27(37),28,30,32,34-hexadecaene-36,40-dione?
6,11,18,23,29,34-hexatert-butyl-37,38-dihydroxy-2,14-dioxanonacyclo[30.3.1.11,4.19,13.113,16.121,25.127,31.03,8.015,20]hentetraconta-3,5,7,9,11,15,17,19,21,23,25(38),27(37),28,30,32,34-hexadecaene-36,40-dione has a molecular weight of 927.28 g/mol, XLogP of 14.48, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11,18,23,29,34-hexatert-butyl-37,38-dihydroxy-2,14-dioxanonacyclo[30.3.1.11,4.19,13.113,16.121,25.127,31.03,8.015,20]hentetraconta-3,5,7,9,11,15,17,19,21,23,25(38),27(37),28,30,32,34-hexadecaene-36,40-dione is sourced from PubChem (CID 10533823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).