| SpectraBase Spectrum ID |
9qB4BXtmqWN |
| Name |
[6,8'-bi-4H-1-Benzopyran]-4,4'-dione, 2,2',3,3'-tetrahydro-5-hydroxy-5',7,7'-trimethoxy-2,2'-bis(4-methoxyp henyl)-, [S-(R*,R*)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
612.199547220 u |
| Formula |
C35H32O10 |
| InChI |
InChI=1S/C35H32O10/c1-39-20-10-6-18(7-11-20)24-14-22(36)30-29(44-24)17-27(42-4)32(34(30)38)33-28(43-5)16-26(41-3)31-23(37)15-25(45-35(31)33)19-8-12-21(40-2)13-9-19/h6-13,16-17,24-25,38H,14-15H2,1-5H3/t24-,25-/m0/s1 |
| InChIKey |
MMQUDJQTVLWJSC-DQEYMECFSA-N |
| Molecular Weight |
612.631 g/mol |
| SMILES |
C1(C=2C(=C3C(C[C@](OC3=CC2OC)(C=2C=CC(=CC2)OC)[H])=O)O)=C2C(C(=O)C[C@](O2)(C=2C=CC(=CC2)OC)[H])=C(C=C1OC)OC |
![[6,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2,2',3,3'-tetrahydro-5-hydroxy-5',7,7'-trimethoxy-2,2'-bis(4-methoxyp henyl)-, [S-(R*,R*)]-](/api/spectrum/9qB4BXtmqWN/structure.png?h=300&w=458 "[6,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2,2',3,3'-tetrahydro-5-hydroxy-5',7,7'-trimethoxy-2,2'-bis(4-methoxyp henyl)-, [S-(R*,R*)]-")
