8,9-dehydrocycloisolongifolene

8,9-dehydrocycloisolongifolene
Compound Structure:
Synonyms: Cycloisolongifolene, 8,9-dehydro-
Compound ID: NMPC-500
PubChem ID:

594593
Molecular Formula: C15H22
Canonical SMILES: CC1(CC=CC23C14C2CC(C4)C3(C)C)C
InChIKey: KRRPIPKRJIIGHL-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

202.33 g/mol

XLogP3-AA

4.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

0

Exact Mass

202.172150702 g/mol

Monoisotopic Mass

202.172150702 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

387

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

4

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Bryophyllum pinnatum
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