(4a''S,5'R,6a''S,8''R,10b''R)-3'',3'',6a'',8'',10b''-pentamethyltetradecahydrodispiro[furan-3,2'-furan-5',7''-naphtho[2,1-d][1,3]dioxine]

C23H38O4 — CID 135639723

IUPAC—
SMILESC[C@@H]1CCC2[C@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)[C@@]12CCC1(CCOC1)O2
InChIInChI=1S/C23H38O4/c1-16-6-7-17-20(4)14-25-19(2,3)26-18(20)8-9-21(17,5)23(16)11-10-22(27-23)12-13-24-15-22/h16-18H,6-15H2,1-5H3/t16-,17?,18+,20+,21+,22?,23-/m1/s1
InChIKeyQETHKRDIJLVIMV-LEBAPWKDSA-N
MW378.55 g/mol
LogP4.70
Rot. Bonds

About (4a''S,5'R,6a''S,8''R,10b''R)-3'',3'',6a'',8'',10b''-pentamethyltetradecahydrodispiro[furan-3,2'-furan-5',7''-naphtho[2,1-d][1,3]dioxine]

(4a''S,5'R,6a''S,8''R,10b''R)-3'',3'',6a'',8'',10b''-pentamethyltetradecahydrodispiro[furan-3,2'-furan-5',7''-naphtho[2,1-d][1,3]dioxine] (PubChem CID 135639723) has the molecular formula C23H38O4 and a molecular weight of 378.55 g/mol.

Molecular Properties

Compound Name(4a''S,5'R,6a''S,8''R,10b''R)-3'',3'',6a'',8'',10b''-pentamethyltetradecahydrodispiro[furan-3,2'-furan-5',7''-naphtho[2,1-d][1,3]dioxine]
PubChem CID135639723
Molecular FormulaC23H38O4
Molecular Weight378.55 g/mol
Exact Mass378.28
IUPAC Name—
SMILESC[C@@H]1CCC2[C@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)[C@@]12CCC1(CCOC1)O2
InChIInChI=1S/C23H38O4/c1-16-6-7-17-20(4)14-25-19(2,3)26-18(20)8-9-21(17,5)23(16)11-10-22(27-23)12-13-24-15-22/h16-18H,6-15H2,1-5H3/t16-,17?,18+,20+,21+,22?,23-/m1/s1
InChIKeyQETHKRDIJLVIMV-LEBAPWKDSA-N
XLogP4.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4a''S,5'R,6a''S,8''R,10b''R)-3'',3'',6a'',8'',10b''-pentamethyltetradecahydrodispiro[furan-3,2'-furan-5',7''-naphtho[2,1-d][1,3]dioxine] with MolForge

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

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Related Compounds

3'',3'',6''A,7,7,8'',10''B-Heptamethyl-decahydro-1''H-dispiro[1,6-dioxepane-3,2'-oxolane-5',7''-naphtho[2,1-D][1,3]dioxine]
CID 20975230
[(2'S,4aR,6aS,7R,8S,10aS,10bS)-2',3,3,6a,8,10b-hexamethylspiro[1,4a,5,6,8,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxine-7,5'-oxolane]-2'-yl]methanol
CID 7112171
[(2'S,4aR,6aS,7R,8R,10aS,10bS)-2',3,3,6a,8,10b-hexamethylspiro[1,4a,5,6,8,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxine-7,5'-oxolane]-2'-yl]methanol
CID 7112170
2-[(2'S,4aR,6aS,7R,8R,10aR,10bR)-2'-(hydroxymethyl)-3,3,6a,8,10b-pentamethylspiro[1,4a,5,6,8,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxine-7,5'-oxolane]-2'-yl]ethanol
CID 124827837
2-[(2'S,4aS,6aS,7S,8R,10aS,10bR)-2'-[(4-chlorobenzoyl)oxymethyl]-3,3,6a,8,10b-pentamethylspiro[1,4a,5,6,8,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxine-7,5'-oxolane]-2'-yl]ethyl 4-chlorobenzoate
CID 124587100
2-[2'-[(3-chlorobenzoyl)oxymethyl]-3,3,6a,8,10b-pentamethylspiro[1,4a,5,6,8,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxine-7,5'-oxolane]-2'-yl]ethyl 3-chlorobenzoate
CID 4837324
CID 90222838
CID 90222838
CID 99670624
CID 99670624
(1R,2S,4aS,5R,5'S,6R,8aR)-1,5'-bis(hydroxymethyl)-1,4a,5',6-tetramethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-ol
CID 7269626
2-[(2'S,4aR,7S,8R,8aS)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetaldehyde
CID 162957607
(1R,2R,10R,14R,15S,18S,23S)-2,7,7,10,14,15,18,21,21-nonamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-19,24-diene
CID 21136284
2-methyl-1,7-dioxaspiro[3.4]octane
CID 177019772

Frequently Asked Questions

What is the IUPAC name of (4a''S,5'R,6a''S,8''R,10b''R)-3'',3'',6a'',8'',10b''-pentamethyltetradecahydrodispiro[furan-3,2'-furan-5',7''-naphtho[2,1-d][1,3]dioxine]?
The IUPAC name of (4a''S,5'R,6a''S,8''R,10b''R)-3'',3'',6a'',8'',10b''-pentamethyltetradecahydrodispiro[furan-3,2'-furan-5',7''-naphtho[2,1-d][1,3]dioxine] (CID 135639723) is not available.
What is the SMILES notation for (4a''S,5'R,6a''S,8''R,10b''R)-3'',3'',6a'',8'',10b''-pentamethyltetradecahydrodispiro[furan-3,2'-furan-5',7''-naphtho[2,1-d][1,3]dioxine]?
The canonical SMILES for (4a''S,5'R,6a''S,8''R,10b''R)-3'',3'',6a'',8'',10b''-pentamethyltetradecahydrodispiro[furan-3,2'-furan-5',7''-naphtho[2,1-d][1,3]dioxine] is C[C@@H]1CCC2[C@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)[C@@]12CCC1(CCOC1)O2.
What is the InChIKey of (4a''S,5'R,6a''S,8''R,10b''R)-3'',3'',6a'',8'',10b''-pentamethyltetradecahydrodispiro[furan-3,2'-furan-5',7''-naphtho[2,1-d][1,3]dioxine]?
The InChIKey is QETHKRDIJLVIMV-LEBAPWKDSA-N. The full InChI is InChI=1S/C23H38O4/c1-16-6-7-17-20(4)14-25-19(2,3)26-18(20)8-9-21(17,5)23(16)11-10-22(27-23)12-13-24-15-22/h16-18H,6-15H2,1-5H3/t16-,17?,18+,20+,21+,22?,23-/m1/s1.
What are the key properties of (4a''S,5'R,6a''S,8''R,10b''R)-3'',3'',6a'',8'',10b''-pentamethyltetradecahydrodispiro[furan-3,2'-furan-5',7''-naphtho[2,1-d][1,3]dioxine]?
(4a''S,5'R,6a''S,8''R,10b''R)-3'',3'',6a'',8'',10b''-pentamethyltetradecahydrodispiro[furan-3,2'-furan-5',7''-naphtho[2,1-d][1,3]dioxine] has a molecular weight of 378.55 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4a''S,5'R,6a''S,8''R,10b''R)-3'',3'',6a'',8'',10b''-pentamethyltetradecahydrodispiro[furan-3,2'-furan-5',7''-naphtho[2,1-d][1,3]dioxine] is sourced from PubChem (CID 135639723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).