(1S,2R,4R,6R,10S,11R,13S,16S)-6,11-dihydroxy-11-methyl-4-prop-1-en-2-yl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione

C19H24O5 — CID 155933433

IUPAC(1S,2R,4R,6R,10S,11R,13S,16S)-6,11-dihydroxy-11-methyl-4-prop-1-en-2-yl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione
SMILESC=C(C)[C@H]1C[C@@]2(O)CC3C(=O)[C@H]4[C@@H]5[C@H](C[C@@]4(C)O)OC(=O)[C@@H]5[C@@]32C1
InChIInChI=1S/C19H24O5/c1-8(2)9-4-18(23)6-10-15(20)13-12-11(7-17(13,3)22)24-16(21)14(12)19(10,18)5-9/h9-14,22-23H,1,4-7H2,2-3H3/t9-,10?,11-,12-,13+,14+,17+,18+,19+/m0/s1
InChIKeyZQFLAWROPLQGPV-BVWDGMCASA-N
MW332.40 g/mol
LogP1.22
Rot. Bonds1

About (1S,2R,4R,6R,10S,11R,13S,16S)-6,11-dihydroxy-11-methyl-4-prop-1-en-2-yl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione

(1S,2R,4R,6R,10S,11R,13S,16S)-6,11-dihydroxy-11-methyl-4-prop-1-en-2-yl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione (PubChem CID 155933433) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is (1S,2R,4R,6R,10S,11R,13S,16S)-6,11-dihydroxy-11-methyl-4-prop-1-en-2-yl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione.

Molecular Properties

Compound Name(1S,2R,4R,6R,10S,11R,13S,16S)-6,11-dihydroxy-11-methyl-4-prop-1-en-2-yl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione
PubChem CID155933433
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Name(1S,2R,4R,6R,10S,11R,13S,16S)-6,11-dihydroxy-11-methyl-4-prop-1-en-2-yl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione
SMILESC=C(C)[C@H]1C[C@@]2(O)CC3C(=O)[C@H]4[C@@H]5[C@H](C[C@@]4(C)O)OC(=O)[C@@H]5[C@@]32C1
InChIInChI=1S/C19H24O5/c1-8(2)9-4-18(23)6-10-15(20)13-12-11(7-17(13,3)22)24-16(21)14(12)19(10,18)5-9/h9-14,22-23H,1,4-7H2,2-3H3/t9-,10?,11-,12-,13+,14+,17+,18+,19+/m0/s1
InChIKeyZQFLAWROPLQGPV-BVWDGMCASA-N
XLogP1.22
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S,2R,4R,6R,10S,11R,13S,16S)-6,11-dihydroxy-11-methyl-4-prop-1-en-2-yl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione with MolForge

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

Launch Full Analysis

Related Compounds

(1R,2S,4R,10S,11R,13S,16S)-11-hydroxy-11-methyl-4-prop-1-en-2-yl-14-oxatetracyclo[8.5.1.02,8.013,16]hexadec-7-ene-6,9,15-trione
CID 101222669
(1S,2S,4S,10R,11S,13R,16R)-11-hydroxy-11-methyl-4-prop-1-en-2-yl-14-oxatetracyclo[8.5.1.02,8.013,16]hexadec-7-ene-6,9,15-trione
CID 162924734
(1S,2R,4R,6R,8R,10S,11R,13S,16S)-6,11-dihydroxy-4-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione;trihydrate
CID 168336405
(1S,2R,4R,6R,8R,10S,11R,13S,16S)-6,11-dihydroxy-4-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione
CID 168336408
3-[(1R,2S,3S,7S,8R,11R)-2-methoxycarbonyl-4-methyl-12-methylidene-5-oxo-6-oxatetracyclo[9.2.1.01,8.03,7]tetradecan-7-yl]propanoic acid
CID 101080466
7-Ethyl-4-(hydroxymethyl)-4-methyl-12-methylidene-5-oxo-6-oxatetracyclo[9.2.1.01,8.03,7]tetradecane-2-carboxylic acid
CID 89240244
7-Ethyl-4-(1-hydroxyethyl)-4-methyl-12-methylidene-5-oxo-6-oxatetracyclo[9.2.1.01,8.03,7]tetradecane-2-carboxylic acid
CID 89240293
methyl (1R,2S,3S,4S,7S,8R,11R)-7-(3-hydroxypropyl)-4-methyl-12-methylidene-5-oxo-6-oxatetracyclo[9.2.1.01,8.03,7]tetradecane-2-carboxylate
CID 10593854
(1S,2R,4S,10R,11S,13R,16R)-11-hydroxy-11-methyl-4-prop-1-en-2-yl-14-oxatetracyclo[8.5.1.02,8.013,16]hexadec-7-ene-6,9,15-trione
CID 10871236
3-[(1R,2S,3S,4S,7S,8R,11R)-2-methoxycarbonyl-4-methyl-12-methylidene-5-oxo-6-oxatetracyclo[9.2.1.01,8.03,7]tetradecan-7-yl]propanoic acid
CID 11382885
(1S,2R,4S,10R,11S,16R)-11-hydroxy-11-methyl-4-prop-1-en-2-yl-14-oxatetracyclo[8.5.1.02,8.013,16]hexadec-7-ene-6,9,15-trione
CID 21776754
11-Hydroxy-11-methyl-4-prop-1-en-2-yl-14-oxatetracyclo[8.5.1.02,8.013,16]hexadec-7-ene-6,9,15-trione
CID 73837389

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R,6R,10S,11R,13S,16S)-6,11-dihydroxy-11-methyl-4-prop-1-en-2-yl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione?
The IUPAC name of (1S,2R,4R,6R,10S,11R,13S,16S)-6,11-dihydroxy-11-methyl-4-prop-1-en-2-yl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione (CID 155933433) is (1S,2R,4R,6R,10S,11R,13S,16S)-6,11-dihydroxy-11-methyl-4-prop-1-en-2-yl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione.
What is the SMILES notation for (1S,2R,4R,6R,10S,11R,13S,16S)-6,11-dihydroxy-11-methyl-4-prop-1-en-2-yl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione?
The canonical SMILES for (1S,2R,4R,6R,10S,11R,13S,16S)-6,11-dihydroxy-11-methyl-4-prop-1-en-2-yl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione is C=C(C)[C@H]1C[C@@]2(O)CC3C(=O)[C@H]4[C@@H]5[C@H](C[C@@]4(C)O)OC(=O)[C@@H]5[C@@]32C1.
What is the InChIKey of (1S,2R,4R,6R,10S,11R,13S,16S)-6,11-dihydroxy-11-methyl-4-prop-1-en-2-yl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione?
The InChIKey is ZQFLAWROPLQGPV-BVWDGMCASA-N. The full InChI is InChI=1S/C19H24O5/c1-8(2)9-4-18(23)6-10-15(20)13-12-11(7-17(13,3)22)24-16(21)14(12)19(10,18)5-9/h9-14,22-23H,1,4-7H2,2-3H3/t9-,10?,11-,12-,13+,14+,17+,18+,19+/m0/s1.
What are the key properties of (1S,2R,4R,6R,10S,11R,13S,16S)-6,11-dihydroxy-11-methyl-4-prop-1-en-2-yl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione?
(1S,2R,4R,6R,10S,11R,13S,16S)-6,11-dihydroxy-11-methyl-4-prop-1-en-2-yl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione has a molecular weight of 332.40 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R,6R,10S,11R,13S,16S)-6,11-dihydroxy-11-methyl-4-prop-1-en-2-yl-14-oxapentacyclo[8.5.1.02,6.02,8.013,16]hexadecane-9,15-dione is sourced from PubChem (CID 155933433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).