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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H34O14
Molecular Weight 714.6682
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-132M

SMILES

[H][C@@]12O[C@H](O[C@]1([H])[C@@H](O[C@@]3([H])O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](OC4=CC=CC5=C4C6=C7C(C(=O)OC8=CC=C(C)C(C(=O)O6)=C78)=C5O)O[C@@H]2C)C9=CC=CC=C9

InChI

InChIKey=XFXSVFLGSJQVAJ-FSPYWXQFSA-N
InChI=1S/C38H34O14/c1-14-12-13-20-23-21(14)34(43)49-31-22-18(27(40)25(24(23)31)35(44)47-20)10-7-11-19(22)48-38-33(52-37-29(42)28(41)26(39)15(2)45-37)32-30(16(3)46-38)50-36(51-32)17-8-5-4-6-9-17/h4-13,15-16,26,28-30,32-33,36-42H,1-3H3/t15-,16-,26+,28+,29-,30+,32+,33-,36-,37-,38+/m1/s1

HIDE SMILES / InChI

Molecular Formula C38H34O14
Molecular Weight 714.6682
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jul 07 00:50:04 UTC 2023
Edited
by admin
on Fri Jul 07 00:50:04 UTC 2023
Record UNII
A9EUJ9G7KQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A-132M
Code English
Benzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dione, 10-[[6-deoxy-2-O-(6-deoxy-α-D-galactopyranosyl)-3,4-O-(phenylmethylene)-β-D-galactopyranosyl]oxy]-6-hydroxy-1-methyl-, (R)-
Systematic Name English
Benzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dione, 10-[[6-deoxy-2-O-(6-deoxy-α-D-galactopyranosyl)-3,4-O-[(R)-phenylmethylene]-β-D-galactopyranosyl]oxy]-6-hydroxy-1-methyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
10327496
Created by admin on Fri Jul 07 00:50:05 UTC 2023 , Edited by admin on Fri Jul 07 00:50:05 UTC 2023
PRIMARY
FDA UNII
A9EUJ9G7KQ
Created by admin on Fri Jul 07 00:50:05 UTC 2023 , Edited by admin on Fri Jul 07 00:50:05 UTC 2023
PRIMARY
CAS
132116-72-4
Created by admin on Fri Jul 07 00:50:05 UTC 2023 , Edited by admin on Fri Jul 07 00:50:05 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
PARENT -> METABOLITE ACTIVE
Metabolite rapidly formed, IST-622 not seen in plasma.