(1R,2S,8R,9R,10S,11S,12S,13S,16S)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,15-dione

C19H24O6 — CID 162945137

IUPAC(1R,2S,8R,9R,10S,11S,12S,13S,16S)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,15-dione
SMILESCC1=C[C@@H](O)[C@H](O)[C@]2(C)C1=CC(=O)[C@@]1(C)[C@H]2[C@H](O)[C@H]2OC(=O)[C@@H]1[C@@H]2C
InChIInChI=1S/C19H24O6/c1-7-5-10(20)16(23)18(3)9(7)6-11(21)19(4)12-8(2)14(25-17(12)24)13(22)15(18)19/h5-6,8,10,12-16,20,22-23H,1-4H3/t8-,10+,12-,13+,14-,15-,16-,18+,19+/m0/s1
InChIKeyGAVAUJBDPWVDRK-QIMUOAJRSA-N
MW348.40 g/mol
LogP0.36
Rot. Bonds

About (1R,2S,8R,9R,10S,11S,12S,13S,16S)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,15-dione

(1R,2S,8R,9R,10S,11S,12S,13S,16S)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,15-dione (PubChem CID 162945137) has the molecular formula C19H24O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is (1R,2S,8R,9R,10S,11S,12S,13S,16S)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,15-dione.

Molecular Properties

Compound Name(1R,2S,8R,9R,10S,11S,12S,13S,16S)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,15-dione
PubChem CID162945137
Molecular FormulaC19H24O6
Molecular Weight348.40 g/mol
Exact Mass348.16
IUPAC Name(1R,2S,8R,9R,10S,11S,12S,13S,16S)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,15-dione
SMILESCC1=C[C@@H](O)[C@H](O)[C@]2(C)C1=CC(=O)[C@@]1(C)[C@H]2[C@H](O)[C@H]2OC(=O)[C@@H]1[C@@H]2C
InChIInChI=1S/C19H24O6/c1-7-5-10(20)16(23)18(3)9(7)6-11(21)19(4)12-8(2)14(25-17(12)24)13(22)15(18)19/h5-6,8,10,12-16,20,22-23H,1-4H3/t8-,10+,12-,13+,14-,15-,16-,18+,19+/m0/s1
InChIKeyGAVAUJBDPWVDRK-QIMUOAJRSA-N
XLogP0.36
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1R,2S,8R,9R,10S,11S,12S,13S,16S)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,8R,9R,10S,11S,12S,13S,16S)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,15-dione?
The IUPAC name of (1R,2S,8R,9R,10S,11S,12S,13S,16S)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,15-dione (CID 162945137) is (1R,2S,8R,9R,10S,11S,12S,13S,16S)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,15-dione.
What is the SMILES notation for (1R,2S,8R,9R,10S,11S,12S,13S,16S)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,15-dione?
The canonical SMILES for (1R,2S,8R,9R,10S,11S,12S,13S,16S)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,15-dione is CC1=C[C@@H](O)[C@H](O)[C@]2(C)C1=CC(=O)[C@@]1(C)[C@H]2[C@H](O)[C@H]2OC(=O)[C@@H]1[C@@H]2C.
What is the InChIKey of (1R,2S,8R,9R,10S,11S,12S,13S,16S)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,15-dione?
The InChIKey is GAVAUJBDPWVDRK-QIMUOAJRSA-N. The full InChI is InChI=1S/C19H24O6/c1-7-5-10(20)16(23)18(3)9(7)6-11(21)19(4)12-8(2)14(25-17(12)24)13(22)15(18)19/h5-6,8,10,12-16,20,22-23H,1-4H3/t8-,10+,12-,13+,14-,15-,16-,18+,19+/m0/s1.
What are the key properties of (1R,2S,8R,9R,10S,11S,12S,13S,16S)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,15-dione?
(1R,2S,8R,9R,10S,11S,12S,13S,16S)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,15-dione has a molecular weight of 348.40 g/mol, XLogP of 0.36, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,8R,9R,10S,11S,12S,13S,16S)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,15-dione is sourced from PubChem (CID 162945137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).