Ingol

Ingol
Compound Structure:
Synonyms: Ingol; (1R,3R,4R,8S,9R,10E,12S,13S,14S)-4,8,9,13-tetrahydroxy-3,6,6,10,14-pentamethyl-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-2-one
Compound ID: NMPC-1141
PubChem ID:

42608245
Molecular Formula: C20H30O6
Canonical SMILES: CC1CC23C(=O)C(C(C4C(C4(C)C)C(C(C(=CC2(C1O)O3)C)O)O)O)C
InChIKey: MXSMLDVUIRKKID-NZODWMOFSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

366.4 g/mol

XLogP3-AA

0

Hydrogen Bond Donor Count

4

Hydrogen Bond Acceptor Count

6

Rotatable Bond Count

0

Exact Mass

366.20423867 g/mol

Monoisotopic Mass

366.20423867 g/mol

Topological Polar Surface Area

111Ų

Heavy Atom Count

26

Formal Charge

0

Complexity

686

Isotope Atom Count

0

Defined Atom Stereocenter Count

8

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                       

                                                                                             
Source Species: Euphorbia deightonii
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