TUBULOSINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H37N3O3
Molecular Weight	475.6224
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]4(C[C@H]1NCCC2=C1NC3=CC=C(O)C=C23)C[C@]5([H])N(CCC6=CC(OC)=C(OC)C=C56)C[C@@H]4CC

InChI

InChIKey=JRVWIILYWSBUMC-PRUVNFMMSA-N

InChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H37N3O3
Molecular Weight	475.6224
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:06:44 GMT 2023` Edited by `admin` on `Sat Dec 16 13:06:44 GMT 2023`
Record UNII	112A6Z7SN5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TUBULOSINE

Common Name

English

1H-PYRIDO(3,4-B)INDOL-6-OL, 1-(((2S,3R,11BS)-3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-2H-BENZO(A)QUINOLIZIN-2-YL)METHYL)-2,3,4,9-TETRAHYDRO-, (1R)-

Systematic Name

English

(-)-TUBULOSINE

Common Name

English

NSC-131547

Code

English

(1R)-1-(((2S,3R,11BS)-3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-2H-BENZO(A)QUINOLIZIN-2-YL)METHYL)-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOL-6-OL

Systematic Name

English

1H-PYRIDO(3,4-B)INDOL-6-OL, 1-((3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-2H-BENZO(A)QUINOLIZIN-2-YL)METHYL)-2,3,4,9-TETRAHYDRO-, (2S-(2.ALPHA.(S*),3.BETA.,11B.BETA.))-

Systematic Name

English

TUBULOSAN-8'-OL, 10,11-DIMETHOXY-

Systematic Name

English

Code System Code Type Description

NSC

131547