Ginkgolide M

C20H24O10 — CID 71450923

IUPAC(1S,6R,8S,9R,11R,12R,13R,16S,17S)-8-tert-butyl-6,9,12-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

SMILESC[C@H]1[C@H]2[C@H]([C@@H]([C@@]34[C@]25C(=O)OC3[C@@H]([C@H](C46[C@H](C(=O)OC6O5)O)C(C)(C)C)O)O)OC1=O

InChIInChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3/t5-,6-,7+,8+,9-,10-,11-,12?,16?,18?,19+,20+/m0/s1

InChIKeyKDKROYXEHCYLJQ-DDQXZYLESA-N

MW424.40 g/mol

LogP-0.30

Rot. Bonds1

About Ginkgolide M

Ginkgolide M (PubChem CID 71450923) has the molecular formula C20H24O10 and a molecular weight of 424.40 g/mol. Its IUPAC name is (1S,6R,8S,9R,11R,12R,13R,16S,17S)-8-tert-butyl-6,9,12-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione.

Molecular Properties

Compound Name	Ginkgolide M
PubChem CID	71450923
Molecular Formula	C20H24O10
Molecular Weight	424.40 g/mol
Exact Mass	424.14
IUPAC Name	(1S,6R,8S,9R,11R,12R,13R,16S,17S)-8-tert-butyl-6,9,12-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
SMILES	C[C@H]1[C@H]2[C@H]([C@@H]([C@@]34[C@]25C(=O)OC3[C@@H]([C@H](C46[C@H](C(=O)OC6O5)O)C(C)(C)C)O)O)OC1=O
InChI	InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3/t5-,6-,7+,8+,9-,10-,11-,12?,16?,18?,19+,20+/m0/s1
InChIKey	KDKROYXEHCYLJQ-DDQXZYLESA-N
XLogP	-0.30
TPSA	149.00 Å²
H-Bond Donors	3
H-Bond Acceptors	10
Rotatable Bonds	1
Heavy Atoms	30
Complexity	910

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.40
LogP ≤ 5	-0.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ginkgolide M?

The IUPAC name of Ginkgolide M (CID 71450923) is (1S,6R,8S,9R,11R,12R,13R,16S,17S)-8-tert-butyl-6,9,12-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione.

What is the SMILES notation for Ginkgolide M?

The canonical SMILES for Ginkgolide M is C[C@H]1[C@H]2[C@H]([C@@H]([C@@]34[C@]25C(=O)OC3[C@@H]([C@H](C46[C@H](C(=O)OC6O5)O)C(C)(C)C)O)O)OC1=O.

What is the InChIKey of Ginkgolide M?

The InChIKey is KDKROYXEHCYLJQ-DDQXZYLESA-N. The full InChI is InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3/t5-,6-,7+,8+,9-,10-,11-,12?,16?,18?,19+,20+/m0/s1.

What are the key properties of Ginkgolide M?

Ginkgolide M has a molecular weight of 424.40 g/mol, XLogP of -0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for Ginkgolide M is sourced from PubChem (CID 71450923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).