(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21S,22S,24S)-24-hydroxy-5',11,13,22-tetramethyl-6'-propan-2-yl-21-tri(propan-2-yl)silyloxyspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16-triene-6,2'-oxane]-2-one

C42H70O7Si — CID 10952652

IUPAC(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21S,22S,24S)-24-hydroxy-5',11,13,22-tetramethyl-6'-propan-2-yl-21-tri(propan-2-yl)silyloxyspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16-triene-6,2'-oxane]-2-one
SMILESC/C1=C\C[C@@H]2C[C@@H](C[C@]3(CC[C@H](C)[C@@H](C(C)C)O3)O2)OC(=O)[C@@H]2C[C@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]3OC/C(=C\C=C\[C@H](C)C1)[C@]32O
InChIInChI=1S/C42H70O7Si/c1-25(2)37-31(11)18-19-41(48-37)23-35-22-34(47-41)17-16-30(10)20-29(9)14-13-15-33-24-45-39-38(49-50(26(3)4,27(5)6)28(7)8)32(12)21-36(40(43)46-35)42(33,39)44/h13-16,25-29,31-32,34-39,44H,17-24H2,1-12H3/b14-13+,30-16+,33-15+/t29-,31-,32-,34+,35-,36-,37+,38-,39+,41+,42+/m0/s1
InChIKeyKBYAZDNDKQRDKQ-IVZZHGPDSA-N
MW715.10 g/mol
LogP9.45
Rot. Bonds6

About (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21S,22S,24S)-24-hydroxy-5',11,13,22-tetramethyl-6'-propan-2-yl-21-tri(propan-2-yl)silyloxyspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16-triene-6,2'-oxane]-2-one

(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21S,22S,24S)-24-hydroxy-5',11,13,22-tetramethyl-6'-propan-2-yl-21-tri(propan-2-yl)silyloxyspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16-triene-6,2'-oxane]-2-one (PubChem CID 10952652) has the molecular formula C42H70O7Si and a molecular weight of 715.10 g/mol. Its IUPAC name is (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21S,22S,24S)-24-hydroxy-5',11,13,22-tetramethyl-6'-propan-2-yl-21-tri(propan-2-yl)silyloxyspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16-triene-6,2'-oxane]-2-one.

Molecular Properties

Compound Name(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21S,22S,24S)-24-hydroxy-5',11,13,22-tetramethyl-6'-propan-2-yl-21-tri(propan-2-yl)silyloxyspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16-triene-6,2'-oxane]-2-one
PubChem CID10952652
Molecular FormulaC42H70O7Si
Molecular Weight715.10 g/mol
Exact Mass714.49
IUPAC Name(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21S,22S,24S)-24-hydroxy-5',11,13,22-tetramethyl-6'-propan-2-yl-21-tri(propan-2-yl)silyloxyspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16-triene-6,2'-oxane]-2-one
SMILESC/C1=C\C[C@@H]2C[C@@H](C[C@]3(CC[C@H](C)[C@@H](C(C)C)O3)O2)OC(=O)[C@@H]2C[C@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]3OC/C(=C\C=C\[C@H](C)C1)[C@]32O
InChIInChI=1S/C42H70O7Si/c1-25(2)37-31(11)18-19-41(48-37)23-35-22-34(47-41)17-16-30(10)20-29(9)14-13-15-33-24-45-39-38(49-50(26(3)4,27(5)6)28(7)8)32(12)21-36(40(43)46-35)42(33,39)44/h13-16,25-29,31-32,34-39,44H,17-24H2,1-12H3/b14-13+,30-16+,33-15+/t29-,31-,32-,34+,35-,36-,37+,38-,39+,41+,42+/m0/s1
InChIKeyKBYAZDNDKQRDKQ-IVZZHGPDSA-N
XLogP9.45
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.10
LogP ≤ 59.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21S,22S,24S)-24-hydroxy-5',11,13,22-tetramethyl-6'-propan-2-yl-21-tri(propan-2-yl)silyloxyspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16-triene-6,2'-oxane]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21S,22S,24S)-24-hydroxy-5',11,13,22-tetramethyl-6'-propan-2-yl-21-tri(propan-2-yl)silyloxyspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16-triene-6,2'-oxane]-2-one?
The IUPAC name of (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21S,22S,24S)-24-hydroxy-5',11,13,22-tetramethyl-6'-propan-2-yl-21-tri(propan-2-yl)silyloxyspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16-triene-6,2'-oxane]-2-one (CID 10952652) is (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21S,22S,24S)-24-hydroxy-5',11,13,22-tetramethyl-6'-propan-2-yl-21-tri(propan-2-yl)silyloxyspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16-triene-6,2'-oxane]-2-one.
What is the SMILES notation for (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21S,22S,24S)-24-hydroxy-5',11,13,22-tetramethyl-6'-propan-2-yl-21-tri(propan-2-yl)silyloxyspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16-triene-6,2'-oxane]-2-one?
The canonical SMILES for (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21S,22S,24S)-24-hydroxy-5',11,13,22-tetramethyl-6'-propan-2-yl-21-tri(propan-2-yl)silyloxyspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16-triene-6,2'-oxane]-2-one is C/C1=C\C[C@@H]2C[C@@H](C[C@]3(CC[C@H](C)[C@@H](C(C)C)O3)O2)OC(=O)[C@@H]2C[C@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]3OC/C(=C\C=C\[C@H](C)C1)[C@]32O.
What is the InChIKey of (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21S,22S,24S)-24-hydroxy-5',11,13,22-tetramethyl-6'-propan-2-yl-21-tri(propan-2-yl)silyloxyspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16-triene-6,2'-oxane]-2-one?
The InChIKey is KBYAZDNDKQRDKQ-IVZZHGPDSA-N. The full InChI is InChI=1S/C42H70O7Si/c1-25(2)37-31(11)18-19-41(48-37)23-35-22-34(47-41)17-16-30(10)20-29(9)14-13-15-33-24-45-39-38(49-50(26(3)4,27(5)6)28(7)8)32(12)21-36(40(43)46-35)42(33,39)44/h13-16,25-29,31-32,34-39,44H,17-24H2,1-12H3/b14-13+,30-16+,33-15+/t29-,31-,32-,34+,35-,36-,37+,38-,39+,41+,42+/m0/s1.
What are the key properties of (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21S,22S,24S)-24-hydroxy-5',11,13,22-tetramethyl-6'-propan-2-yl-21-tri(propan-2-yl)silyloxyspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16-triene-6,2'-oxane]-2-one?
(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21S,22S,24S)-24-hydroxy-5',11,13,22-tetramethyl-6'-propan-2-yl-21-tri(propan-2-yl)silyloxyspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16-triene-6,2'-oxane]-2-one has a molecular weight of 715.10 g/mol, XLogP of 9.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21S,22S,24S)-24-hydroxy-5',11,13,22-tetramethyl-6'-propan-2-yl-21-tri(propan-2-yl)silyloxyspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16-triene-6,2'-oxane]-2-one is sourced from PubChem (CID 10952652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).