Picrocrocin

Datasheet MSDS
Catalog Number
ANC00044
Product Name
Picrocrocin
Structure
Picrocrocin
CAS Number
138-55-6
IUPAC Name
(4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carbaldehyde
Synonyms
Saffron-bitter; Picrocrocine; (4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carbaldehyde
Molecular Formula
C16H26O7
Molecular Weight
330.377
Density
1.31±0.1g/cm3 (20ºC 760Torr)
Melting Point
196°C (ethyl acetate )
Boiling Point
520.4±50.0°C (Predicted)
Description
Picrocrocin, a carotenoid found in broccoli flowers. Picrocrocin has anti-cancer properties. Picrocrocin can inhibit the growth of human skmel-2 malignant melanoma cells.
SMILES
CC1=C(C(C[C@@H](C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C)C=O
InChI
InChI=1S/C16H26O7/c1-8-4-9(5-16(2,3)10(8)6-17)22-15-14(21)13(20)12(19)11(7-18)23-15/h6,9,11-15,18-21H,4-5,7H2,1-3H3/t9-,11-,12-,13+,14-,15-/m1/s1
InChI Key
WMHJCSAICLADIN-WYWSWGBSSA-N
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