1-[(2R,3R)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-8-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5H-benzocyclohepten-5-one
CAS Registry Number®
31701-93-6
CAS Name
1-[(2R,3R)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-8-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5H-benzocyclohepten-5-oneMolecular Formula
C29H24O12Molecular Mass
564.49Cite this Page
1-[(2R,3R)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-8-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5H-benzocyclohepten-5-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=31701-93-6 (retrieved ) (CAS RN: 31701-93-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22+,28+,29+/m0/s1
InChIKey
InChIKey=IPMYMEWFZKHGAX-XDPYCTQPSA-N
SMILES
OC1=C2C(=C(C=C1O)[C@H]3OC=4C(C[C@H]3O)=C(O)C=C(O)C4)C=C(C=C(O)C2=O)[C@H]5OC=6C(C[C@@H]5O)=C(O)C=C(O)C6
Canonical SMILES
O=C1C(O)=CC(=CC=2C1=C(O)C(O)=CC2C3OC=4C=C(O)C=C(O)C4CC3O)C5OC=6C=C(O)C=C(O)C6CC5O
Other Names for this Substance
- 5H-Benzocyclohepten-5-one, 1-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-8-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-
- 5H-Benzocyclohepten-5-one, 1,8-bis(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-, [2S-[2α(2S*,3R*),3α]]-
- 5H-Benzocyclohepten-5-one, 3,4,6-trihydroxy-1,8-bis(3,5,7-trihydroxy-2-chromanyl)-
- 1-[(2R,3R)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-8-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5H-benzocyclohepten-5-one
- Isotheaflavin
