Structure

Carotene

CAS
7488-99-5
Catalog Number
ACM7488995
Category
Other Products
Molecular Weight
536.87
Molecular Formula
C40H56

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Specification

Synonyms
A-CAROTENE;ALPHA/BETA-CAROTENE MIX;ALPHA-CAROTENE;CAROTENE, A-;ALPHA-CAROTENE FROM CARROTS;.beta.,.epsilon.-Carotene, (6R)-;(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-1-(2,6,6-trimethyl-1-cyclohexenyl)-18-(2,6,6-trimethyl-1-cyclohex-2-enyl)octadeca-1,3,5,7,9,11,13,15,17-nonaene;CISALPHA-CAROTENE
Hazard Statements
Xn
Safety Description
36/37-24/25-23
What is the molecular formula of Carotene?

The molecular formula of Carotene is C40H56.

What is the molecular weight of Carotene?

The molecular weight of Carotene is 536.9 g/mol.

What is the IUPAC Name of Carotene?

The IUPAC Name of Carotene is 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene.

What is the InChI code for Carotene?

The InChI code for Carotene is 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/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1.

What is the Canonical SMILES for Carotene?

The Canonical SMILES for Carotene is CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C.

What is the CAS number for Carotene?

The CAS number for Carotene is 7488-99-5.

How many hydrogen bond donor counts does Carotene have?

Carotene has 0 hydrogen bond donor count.

How many rotatable bond counts does Carotene have?

Carotene has 10 rotatable bond counts.

What is the XLogP3-AA value for Carotene?

The XLogP3-AA value for Carotene is 13.6.

Where is Carotene naturally found?

Carotene is a natural product found in Hibiscus syriacus, Scandix stellata, and other organisms with available data.

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