(5S,9R,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-16-one

C26H32O8 — CID 90718068

IUPAC(5S,9R,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-16-one
SMILESCOCOc1cc2occc2c2c1C(=O)O[C@@H](C)[C@H](C)C=CC(O)[C@H]1OC(C)(C)O[C@H]1CC=C2
InChIInChI=1S/C26H32O8/c1-15-9-10-19(27)24-20(33-26(3,4)34-24)8-6-7-18-17-11-12-30-21(17)13-22(31-14-29-5)23(18)25(28)32-16(15)2/h6-7,9-13,15-16,19-20,24,27H,8,14H2,1-5H3/t15-,16+,19?,20+,24-/m1/s1
InChIKeyDEUZAEGMVSIZHK-RWLCWYBNSA-N
MW472.53 g/mol
LogP4.45
Rot. Bonds3

About (5S,9R,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-16-one

(5S,9R,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-16-one (PubChem CID 90718068) has the molecular formula C26H32O8 and a molecular weight of 472.53 g/mol. Its IUPAC name is (5S,9R,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-16-one.

Molecular Properties

Compound Name(5S,9R,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-16-one
PubChem CID90718068
Molecular FormulaC26H32O8
Molecular Weight472.53 g/mol
Exact Mass472.21
IUPAC Name(5S,9R,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-16-one
SMILESCOCOc1cc2occc2c2c1C(=O)O[C@@H](C)[C@H](C)C=CC(O)[C@H]1OC(C)(C)O[C@H]1CC=C2
InChIInChI=1S/C26H32O8/c1-15-9-10-19(27)24-20(33-26(3,4)34-24)8-6-7-18-17-11-12-30-21(17)13-22(31-14-29-5)23(18)25(28)32-16(15)2/h6-7,9-13,15-16,19-20,24,27H,8,14H2,1-5H3/t15-,16+,19?,20+,24-/m1/s1
InChIKeyDEUZAEGMVSIZHK-RWLCWYBNSA-N
XLogP4.45
TPSA96.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5S,9R,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-16-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,9R,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-16-one?
The IUPAC name of (5S,9R,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-16-one (CID 90718068) is (5S,9R,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-16-one.
What is the SMILES notation for (5S,9R,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-16-one?
The canonical SMILES for (5S,9R,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-16-one is COCOc1cc2occc2c2c1C(=O)O[C@@H](C)[C@H](C)C=CC(O)[C@H]1OC(C)(C)O[C@H]1CC=C2.
What is the InChIKey of (5S,9R,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-16-one?
The InChIKey is DEUZAEGMVSIZHK-RWLCWYBNSA-N. The full InChI is InChI=1S/C26H32O8/c1-15-9-10-19(27)24-20(33-26(3,4)34-24)8-6-7-18-17-11-12-30-21(17)13-22(31-14-29-5)23(18)25(28)32-16(15)2/h6-7,9-13,15-16,19-20,24,27H,8,14H2,1-5H3/t15-,16+,19?,20+,24-/m1/s1.
What are the key properties of (5S,9R,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-16-one?
(5S,9R,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-16-one has a molecular weight of 472.53 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-16-one is sourced from PubChem (CID 90718068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).