GALARUBICIN HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H32FNO13.ClH
Molecular Weight	670.033
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

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)CCN)O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5F

InChI

InChIKey=PISPJMVXLMWWNB-ZZBYHBTRSA-N

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

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	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:32:38 UTC 2023` Edited by `admin` on `Sat Dec 16 08:32:38 UTC 2023`
Record UNII	C7EKF2I37Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GALARUBICIN HYDROCHLORIDE

Common Name

English

DA-125

Code

English

.BETA.-ALANINE, 2-((2S,4S)-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 (1:1)

Systematic Name

English

Code System Code Type Description

CAS

140637-86-1