(1R,4R,6R,7R,10R,14S,17R)-4-hydroxy-6,10,15,15-tetramethyl-7-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-16,20-dioxatetracyclo[12.6.0.01,17.06,10]icosane-3,19-dione

C30H44O7 — CID 171358359

IUPAC(1R,4R,6R,7R,10R,14S,17R)-4-hydroxy-6,10,15,15-tetramethyl-7-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-16,20-dioxatetracyclo[12.6.0.01,17.06,10]icosane-3,19-dione
SMILESCC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)CCC[C@H]4C(C)(C)O[C@@H]5CC(=O)O[C@@]54CC(=O)[C@H](O)C[C@]23C)OC1=O
InChIInChI=1S/C30H44O7/c1-17-9-10-22(35-26(17)34)18(2)19-11-13-28(5)12-7-8-23-27(3,4)36-24-14-25(33)37-30(23,24)16-21(32)20(31)15-29(19,28)6/h9,18-20,22-24,31H,7-8,10-16H2,1-6H3/t18-,19+,20+,22+,23-,24+,28+,29+,30+/m0/s1
InChIKeyKXDAONTWABABKA-QVMCBTAXSA-N
MW516.68 g/mol
LogP4.68
Rot. Bonds2

About (1R,4R,6R,7R,10R,14S,17R)-4-hydroxy-6,10,15,15-tetramethyl-7-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-16,20-dioxatetracyclo[12.6.0.01,17.06,10]icosane-3,19-dione

(1R,4R,6R,7R,10R,14S,17R)-4-hydroxy-6,10,15,15-tetramethyl-7-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-16,20-dioxatetracyclo[12.6.0.01,17.06,10]icosane-3,19-dione (PubChem CID 171358359) has the molecular formula C30H44O7 and a molecular weight of 516.68 g/mol. Its IUPAC name is (1R,4R,6R,7R,10R,14S,17R)-4-hydroxy-6,10,15,15-tetramethyl-7-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-16,20-dioxatetracyclo[12.6.0.01,17.06,10]icosane-3,19-dione.

Molecular Properties

Compound Name(1R,4R,6R,7R,10R,14S,17R)-4-hydroxy-6,10,15,15-tetramethyl-7-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-16,20-dioxatetracyclo[12.6.0.01,17.06,10]icosane-3,19-dione
PubChem CID171358359
Molecular FormulaC30H44O7
Molecular Weight516.68 g/mol
Exact Mass516.31
IUPAC Name(1R,4R,6R,7R,10R,14S,17R)-4-hydroxy-6,10,15,15-tetramethyl-7-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-16,20-dioxatetracyclo[12.6.0.01,17.06,10]icosane-3,19-dione
SMILESCC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)CCC[C@H]4C(C)(C)O[C@@H]5CC(=O)O[C@@]54CC(=O)[C@H](O)C[C@]23C)OC1=O
InChIInChI=1S/C30H44O7/c1-17-9-10-22(35-26(17)34)18(2)19-11-13-28(5)12-7-8-23-27(3,4)36-24-14-25(33)37-30(23,24)16-21(32)20(31)15-29(19,28)6/h9,18-20,22-24,31H,7-8,10-16H2,1-6H3/t18-,19+,20+,22+,23-,24+,28+,29+,30+/m0/s1
InChIKeyKXDAONTWABABKA-QVMCBTAXSA-N
XLogP4.68
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.68
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R,4R,6R,7R,10R,14S,17R)-4-hydroxy-6,10,15,15-tetramethyl-7-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-16,20-dioxatetracyclo[12.6.0.01,17.06,10]icosane-3,19-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,6R,7R,10R,14S,17R)-4-hydroxy-6,10,15,15-tetramethyl-7-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-16,20-dioxatetracyclo[12.6.0.01,17.06,10]icosane-3,19-dione?
The IUPAC name of (1R,4R,6R,7R,10R,14S,17R)-4-hydroxy-6,10,15,15-tetramethyl-7-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-16,20-dioxatetracyclo[12.6.0.01,17.06,10]icosane-3,19-dione (CID 171358359) is (1R,4R,6R,7R,10R,14S,17R)-4-hydroxy-6,10,15,15-tetramethyl-7-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-16,20-dioxatetracyclo[12.6.0.01,17.06,10]icosane-3,19-dione.
What is the SMILES notation for (1R,4R,6R,7R,10R,14S,17R)-4-hydroxy-6,10,15,15-tetramethyl-7-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-16,20-dioxatetracyclo[12.6.0.01,17.06,10]icosane-3,19-dione?
The canonical SMILES for (1R,4R,6R,7R,10R,14S,17R)-4-hydroxy-6,10,15,15-tetramethyl-7-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-16,20-dioxatetracyclo[12.6.0.01,17.06,10]icosane-3,19-dione is CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)CCC[C@H]4C(C)(C)O[C@@H]5CC(=O)O[C@@]54CC(=O)[C@H](O)C[C@]23C)OC1=O.
What is the InChIKey of (1R,4R,6R,7R,10R,14S,17R)-4-hydroxy-6,10,15,15-tetramethyl-7-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-16,20-dioxatetracyclo[12.6.0.01,17.06,10]icosane-3,19-dione?
The InChIKey is KXDAONTWABABKA-QVMCBTAXSA-N. The full InChI is InChI=1S/C30H44O7/c1-17-9-10-22(35-26(17)34)18(2)19-11-13-28(5)12-7-8-23-27(3,4)36-24-14-25(33)37-30(23,24)16-21(32)20(31)15-29(19,28)6/h9,18-20,22-24,31H,7-8,10-16H2,1-6H3/t18-,19+,20+,22+,23-,24+,28+,29+,30+/m0/s1.
What are the key properties of (1R,4R,6R,7R,10R,14S,17R)-4-hydroxy-6,10,15,15-tetramethyl-7-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-16,20-dioxatetracyclo[12.6.0.01,17.06,10]icosane-3,19-dione?
(1R,4R,6R,7R,10R,14S,17R)-4-hydroxy-6,10,15,15-tetramethyl-7-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-16,20-dioxatetracyclo[12.6.0.01,17.06,10]icosane-3,19-dione has a molecular weight of 516.68 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6R,7R,10R,14S,17R)-4-hydroxy-6,10,15,15-tetramethyl-7-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-16,20-dioxatetracyclo[12.6.0.01,17.06,10]icosane-3,19-dione is sourced from PubChem (CID 171358359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).