(4S,5R,6Z,10S)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione

C20H26O6 — CID 126636664

IUPAC(4S,5R,6Z,10S)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione
SMILESCc1cc(O)c2c(c1)CCC[C@H](O)C(O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
InChIInChI=1S/C20H26O6/c1-11-9-14-5-4-6-15(21)19(24)16(22)8-7-12(2)13(3)26-20(25)18(14)17(23)10-11/h7-10,12-13,15,19,21,23-24H,4-6H2,1-3H3/b8-7-/t12-,13+,15+,19?/m1/s1
InChIKeyLCHZATBAOMRZEN-CHJMHSNKSA-N
MW362.42 g/mol
LogP2.07
Rot. Bonds

About (4S,5R,6Z,10S)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione

(4S,5R,6Z,10S)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione (PubChem CID 126636664) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is (4S,5R,6Z,10S)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione.

Molecular Properties

Compound Name(4S,5R,6Z,10S)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione
PubChem CID126636664
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name(4S,5R,6Z,10S)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione
SMILESCc1cc(O)c2c(c1)CCC[C@H](O)C(O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
InChIInChI=1S/C20H26O6/c1-11-9-14-5-4-6-15(21)19(24)16(22)8-7-12(2)13(3)26-20(25)18(14)17(23)10-11/h7-10,12-13,15,19,21,23-24H,4-6H2,1-3H3/b8-7-/t12-,13+,15+,19?/m1/s1
InChIKeyLCHZATBAOMRZEN-CHJMHSNKSA-N
XLogP2.07
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (4S,5R,6Z,10S)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,5R,6Z,10S)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione?
The IUPAC name of (4S,5R,6Z,10S)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione (CID 126636664) is (4S,5R,6Z,10S)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione.
What is the SMILES notation for (4S,5R,6Z,10S)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione?
The canonical SMILES for (4S,5R,6Z,10S)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione is Cc1cc(O)c2c(c1)CCC[C@H](O)C(O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O.
What is the InChIKey of (4S,5R,6Z,10S)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione?
The InChIKey is LCHZATBAOMRZEN-CHJMHSNKSA-N. The full InChI is InChI=1S/C20H26O6/c1-11-9-14-5-4-6-15(21)19(24)16(22)8-7-12(2)13(3)26-20(25)18(14)17(23)10-11/h7-10,12-13,15,19,21,23-24H,4-6H2,1-3H3/b8-7-/t12-,13+,15+,19?/m1/s1.
What are the key properties of (4S,5R,6Z,10S)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione?
(4S,5R,6Z,10S)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione has a molecular weight of 362.42 g/mol, XLogP of 2.07, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,6Z,10S)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione is sourced from PubChem (CID 126636664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).