RUBOMYCIN M

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H39NO13
Molecular Weight	657.6617
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(O)=C4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O[C@H]6C[C@H](O)[C@H](O)[C@H](C)O6)[C@H](C)O5)C4=C3O)C(C)=O

InChI

InChIKey=QTGKDZKONUUXOU-RPYJURNCSA-N

InChI=1S/C33H39NO13/c1-12-27(37)18(36)9-22(44-12)47-32-13(2)45-21(8-17(32)34)46-20-11-33(42,14(3)35)10-16-24(20)31(41)26-25(29(16)39)28(38)15-6-5-7-19(43-4)23(15)30(26)40/h5-7,12-13,17-18,20-22,27,32,36-37,39,41-42H,8-11,34H2,1-4H3/t12-,13-,17-,18-,20-,21-,22-,27+,32+,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H39NO13
Molecular Weight	657.6617
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:26:00 GMT 2025` Edited by `admin` on `Tue Apr 01 16:26:00 GMT 2025`
Record UNII	M96ZG4YZ5M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RUBOMYCIN M

Common Name

English

MAR-70

Preferred Name

English

NSC-349631

Code

English

5,12-NAPHTHACENEDIONE, 8-ACETYL-10-((3-AMINO-2,3,6-TRIDEOXY-4-O-(2,6-DIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-, (8S,10S)-

Systematic Name

English

5,12-NAPHTHACENEDIONE, 8-ACETYL-10-((3-AMINO-2,3,6-TRIDEOXY-4-O-(2,6-DIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-, (8S-CIS)-

Systematic Name

English

Code System Code Type Description

FDA UNII

M96ZG4YZ5M