CAS Registry Number®
487-41-2
CAS Name
Phillyrin
Molecular Formula
C27H34O11
Molecular Mass
534.55
Compound Properties
-
Melting Point (1)
166-168 °C
Source(s)
- (1) Thieme, Heinz; Pharmazie, (1969), 24(2), 117, CAplus
Other Names and Identifiers
InChI
InChI=1S/C27H34O11/c1-32-17-6-4-13(8-19(17)33-2)25-15-11-36-26(16(15)12-35-25)14-5-7-18(20(9-14)34-3)37-27-24(31)23(30)22(29)21(10-28)38-27/h4-9,15-16,21-31H,10-12H2,1-3H3/t15-,16-,21+,22+,23-,24+,25-,26+,27+/m0/s1
InChIKey
InChIKey=KFFCKOBAHMGTMW-LGQRSHAYSA-N
SMILES
O(C)C=1C=C([C@@H]2[C@@]3([C@@]([C@@H](OC3)C4=CC(OC)=C(OC)C=C4)(CO2)[H])[H])C=CC1O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O
Canonical SMILES
OCC1OC(OC2=CC=C(C=C2OC)C3OCC4C(OCC34)C5=CC=C(OC)C(OC)=C5)C(O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranoside, 4-[(1S,3aR,4R,6aR)-4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl
- Phillyrin
- Phyllyrin
- β-D-Glucopyranoside, 4-[4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl, [1S-(1α,3aα,4β,6aα)]-
- 1H,3H-Furo[3,4-c]furan, β-D-glucopyranoside deriv.
- 4-[(1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl β-D-glucopyranoside
- Phillyroside
- Phillygenin β-D-glucopyranoside
Deleted or Replaced CAS Registry Numbers
81446-28-8
