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Details

Stereochemistry UNKNOWN
Molecular Formula C33H26O14
Molecular Weight 646.5511
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BE-063437A

SMILES

CC1=CC(O)=C2C(=O)C3=C(OC2(C)C1=O)C=CC(=C3O)C4=C(O)C5=C(OC6(C)C(OC(=O)CC(O)=O)C7(C)OC7C(O)=C6C5=O)C=C4

InChI

InChIKey=LKLQXZDRMSXWEH-UHFFFAOYSA-N
InChI=1S/C33H26O14/c1-11-9-14(34)21-25(40)19-15(45-31(21,2)28(11)43)7-5-12(23(19)38)13-6-8-16-20(24(13)39)26(41)22-27(42)29-33(4,47-29)30(32(22,3)46-16)44-18(37)10-17(35)36/h5-9,29-30,34,38-39,42H,10H2,1-4H3,(H,35,36)

HIDE SMILES / InChI

Molecular Formula C33H26O14
Molecular Weight 646.5511
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:48:32 GMT 2023
Edited
by admin
on Sat Dec 16 18:48:32 GMT 2023
Record UNII
M5ZA0U6Y64
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BE-063437A
Common Name English
PROPANEDIOIC ACID, 1-(6-(5,10A-DIHYDRO-1,8-DIHYDROXY-6,10A-DIMETHYL-5,9-DIOXO-9H-XANTHEN-2-YL)-1A,2,2A,9A-TETRAHYDRO-7,9-DIHYDROXY-1A,2A-DIMETHYL-8-OXO-8H-OXIRENO(B)XANTHEN-2-YL) ESTER, (+)-
Systematic Name English
PROPANEDIOIC ACID, MONO(6-(5,10A-DIHYDRO-1,8-DIHYDROXY-6,10A-DIMETHYL-5,9-DIOXO-9H-XANTHEN-2-YL)-1A,2,2A,9A-TETRAHYDRO-7,9-DIHYDROXY-1A,2A-DIMETHYL-8-OXO-8H-OXIRENO(B)XANTHEN-2-YL) ESTER
Systematic Name English
(+)-BE-063437A
Code English
Code System Code Type Description
FDA UNII
M5ZA0U6Y64
Created by admin on Sat Dec 16 18:48:32 GMT 2023 , Edited by admin on Sat Dec 16 18:48:32 GMT 2023
PRIMARY
PUBCHEM
72941811
Created by admin on Sat Dec 16 18:48:32 GMT 2023 , Edited by admin on Sat Dec 16 18:48:32 GMT 2023
PRIMARY
CAS
359762-93-9
Created by admin on Sat Dec 16 18:48:32 GMT 2023 , Edited by admin on Sat Dec 16 18:48:32 GMT 2023
PRIMARY
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