DA 125

CAS Registry Number®

140637-82-7
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CAS Name

DA 125

Molecular Formula

C30H32FNO13.ClH

Cite this Page

DA 125.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=140637-82-7 (retrieved 2024-07-07) (CAS RN: 140637-82-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H32FNO13.ClH/c1-11-23(35)28(40)22(31)29(44-11)45-15-9-30(41,16(33)10-43-17(34)6-7-32)8-13-19(15)27(39)21-20(25(13)37)24(36)12-4-3-5-14(42-2)18(12)26(21)38;/h3-5,11,15,22-23,28-29,35,37,39-41H,6-10,32H2,1-2H3;1H/t11-,15-,22+,23+,28-,29-,30-;/m0./s1

InChIKey

InChIKey=PISPJMVXLMWWNB-ZZBYHBTRSA-N

SMILES

O([C@@H]1C2=C(C(O)=C3C(=C2O)C(=O)C=4C(C3=O)=CC=CC4OC)C[C@](C(COC(CCN)=O)=O)(O)C1)[C@H]5[C@H](F)[C@H](O)[C@H](O)[C@H](C)O5.Cl

Canonical SMILES

Cl.O=C1C=2C=CC=C(OC)C2C(=O)C=3C(O)=C4C(=C(O)C13)CC(O)(C(=O)COC(=O)CCN)CC4OC5OC(C)C(O)C(O)C5F

Other Names for this Substance

  • β-Alanine, 2-[(2S,4S)-4-[(2,6-dideoxy-2-fluoro-α-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 (1:1)
  • β-Alanine, 2-[4-[(2,6-dideoxy-2-fluoro-α-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)-
  • β-Alanine, 2-[(2S,4S)-4-[(2,6-dideoxy-2-fluoro-α-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
  • DA 125