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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H32FNO13.ClH
Molecular Weight 670.033
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DE(.BETA.-ALANINE)-L-ALANINE-GALARUBICIN HYDROCHLORIDE

SMILES

Cl.[H][C@@]5(O[C@H]1C[C@@](O)(CC2=C(O)C3=C(C(=O)C4=C(OC)C=CC=C4C3=O)C(O)=C12)C(=O)COC(=O)[C@H](C)N)O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5F

InChI

InChIKey=FBSHTVGITJROKG-JOVVHMGUSA-N
InChI=1S/C30H32FNO13.ClH/c1-10(32)28(40)43-9-16(33)30(41)7-13-18(15(8-30)45-29-21(31)27(39)22(34)11(2)44-29)26(38)20-19(24(13)36)23(35)12-5-4-6-14(42-3)17(12)25(20)37;/h4-6,10-11,15,21-22,27,29,34,36,38-39,41H,7-9,32H2,1-3H3;1H/t10-,11-,15-,21+,22+,27-,29-,30-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C30H32FNO13
Molecular Weight 633.5724
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:28:23 GMT 2023
Edited
by admin
on Sat Dec 16 10:28:23 GMT 2023
Record UNII
2Y75X44I0Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DE(.BETA.-ALANINE)-L-ALANINE-GALARUBICIN HYDROCHLORIDE
Common Name English
L-ALANINE, 2-(4-((2,6-DIDEOXY-2-FLUORO-.ALPHA.-L-TALOPYRANOSYL)OXY)-1,2,3,4,6,11-HEXAHYDRO-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-2-NAPHTHACENYL)-2-OXOETHYL ESTER, HYDROCHLORIDE, (2S-CIS)-
Systematic Name English
Code System Code Type Description
FDA UNII
2Y75X44I0Z
Created by admin on Sat Dec 16 10:28:23 GMT 2023 , Edited by admin on Sat Dec 16 10:28:23 GMT 2023
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CAS
140637-86-1
Created by admin on Sat Dec 16 10:28:23 GMT 2023 , Edited by admin on Sat Dec 16 10:28:23 GMT 2023
PRIMARY
PUBCHEM
119025971
Created by admin on Sat Dec 16 10:28:23 GMT 2023 , Edited by admin on Sat Dec 16 10:28:23 GMT 2023
PRIMARY