CAS Registry Number®
107534-93-0
CAS Name
Macelignan
Molecular Formula
C20H24O4
Molecular Mass
328.40
Compound Properties
-
Melting Point (1)
70-72 °C
Source(s)
- (1) Shin, Kuk Hyun; Saengyak Hakhoechi, (1986), 17(3), 189-94, CAplus
Other Names and Identifiers
InChI
InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1
InChIKey
InChIKey=QDDILOVMGWUNGD-UONOGXRCSA-N
SMILES
C([C@H]([C@H](CC1=CC(OC)=C(O)C=C1)C)C)C=2C=C3C(=CC2)OCO3
Canonical SMILES
OC1=CC=C(C=C1OC)CC(C)C(C)CC2=CC=C3OCOC3=C2
Other Names for this Substance
- Phenol, 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxy-
- Phenol, 4-[4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxy-, [S-(R*,S*)]-
- 4-[(2S,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
- Macelignan
- Anwulignan
- (+)-Anwulignan
- Anwuligan
