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

C19H24O7 — CID 44597461

IUPAC(6Z,9S,10S)-9,10,16,18-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione
SMILESC/C1=C/C(=O)[C@@H](O)[C@@H](O)CCCc2cc(O)cc(O)c2C(=O)OC(C)C1
InChIInChI=1S/C19H24O7/c1-10-6-11(2)26-19(25)17-12(8-13(20)9-15(17)22)4-3-5-14(21)18(24)16(23)7-10/h7-9,11,14,18,20-22,24H,3-6H2,1-2H3/b10-7-/t11?,14-,18-/m0/s1
InChIKeyMYHBQZAYBOUJJJ-XQVUAXMTSA-N
MW364.39 g/mol
LogP1.61
Rot. Bonds

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

(6Z,9S,10S)-9,10,16,18-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione (PubChem CID 44597461) has the molecular formula C19H24O7 and a molecular weight of 364.39 g/mol. Its IUPAC name is (6Z,9S,10S)-9,10,16,18-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione.

Molecular Properties

Compound Name(6Z,9S,10S)-9,10,16,18-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione
PubChem CID44597461
Molecular FormulaC19H24O7
Molecular Weight364.39 g/mol
Exact Mass364.15
IUPAC Name(6Z,9S,10S)-9,10,16,18-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione
SMILESC/C1=C/C(=O)[C@@H](O)[C@@H](O)CCCc2cc(O)cc(O)c2C(=O)OC(C)C1
InChIInChI=1S/C19H24O7/c1-10-6-11(2)26-19(25)17-12(8-13(20)9-15(17)22)4-3-5-14(21)18(24)16(23)7-10/h7-9,11,14,18,20-22,24H,3-6H2,1-2H3/b10-7-/t11?,14-,18-/m0/s1
InChIKeyMYHBQZAYBOUJJJ-XQVUAXMTSA-N
XLogP1.61
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Related Compounds

(4S,6Z,9S,10S)-15-chloro-9,10,16,18-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione
CID 59482125
(4S,6R,9S,10S)-9,10,16,18-tetrahydroxy-4-methyl-6-sulfanyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione
CID 172916299
(4S,6Z,9S,10S)-14-chloro-9,10,15,17-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,8-dione
CID 59482093
(4S,6Z,9S,10S)-9,10,18-trihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione
CID 58373428
(4S,8R)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
CID 67884861
(4S,6Z,9S,10R)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione
CID 6918504
(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
16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carbaldehyde
CID 56842251
(4S)-6-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8,9,10-tetrone
CID 91323550
14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione
CID 163149872
(6S,7S,9Z,12S)-6,7,16,18-tetrahydroxy-12-methyl-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),9,15,17-tetraene-8,14-dione
CID 71273329
(2E,5S,9S,11Z,14S)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(4S,6Z,9S,10S)-9,10,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione;(4S,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 160868793

Frequently Asked Questions

What is the IUPAC name of (6Z,9S,10S)-9,10,16,18-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione?
The IUPAC name of (6Z,9S,10S)-9,10,16,18-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione (CID 44597461) is (6Z,9S,10S)-9,10,16,18-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione.
What is the SMILES notation for (6Z,9S,10S)-9,10,16,18-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione?
The canonical SMILES for (6Z,9S,10S)-9,10,16,18-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione is C/C1=C/C(=O)[C@@H](O)[C@@H](O)CCCc2cc(O)cc(O)c2C(=O)OC(C)C1.
What is the InChIKey of (6Z,9S,10S)-9,10,16,18-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione?
The InChIKey is MYHBQZAYBOUJJJ-XQVUAXMTSA-N. The full InChI is InChI=1S/C19H24O7/c1-10-6-11(2)26-19(25)17-12(8-13(20)9-15(17)22)4-3-5-14(21)18(24)16(23)7-10/h7-9,11,14,18,20-22,24H,3-6H2,1-2H3/b10-7-/t11?,14-,18-/m0/s1.
What are the key properties of (6Z,9S,10S)-9,10,16,18-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione?
(6Z,9S,10S)-9,10,16,18-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione has a molecular weight of 364.39 g/mol, XLogP of 1.61, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9S,10S)-9,10,16,18-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione is sourced from PubChem (CID 44597461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).