Molecule Detail Page

Molecule name beta-Carotene Additional molecule names English beta,beta-Carotene b-Carotene Provitamin_A(2) Chinese beta-胡萝卜素

Molecular Structure 2D 3D Download Download

Properties calculated from structure

Property	Value
Formula	C40H56
Weight	536.873 [g/mol]
Complexity	1116.38
XLogP	10.10
TPSA	0.00
#HDonors	0
#HAcceptors	0
Gibbs Energy	278.6 [kcal/mol]
1H NMR spectrum	Predict NMR spectrum
Isotopic distribution	Predict Isotopic distribution

Structure representations/Cross-references

Property	Value
SMILES	CC1(C)CCCC(C)=C1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)CCCC2(C)C
InChI	InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
InChI-Key	InChIKey=OENHQHLEOONYIE-JLTXGRSLSA-N
KEGG ID	C02094
ChEBI ID	CHEBI:17579
PubChem-CID	5280489

Taxonomy

Most similar molecules

Reactions the molecule is involved in

Pathways the molecule is involved in

References

http://sun.ars-grin.gov:8080/npgspub/xsql/duke/plantdisp.xsql?taxon=878