Strictosidine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H34N2O9
Molecular Weight	530.5669
Optical Activity	( - )
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]3(C[C@H]1[C@@H](C=C)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(=O)OC)NCCC4=C3NC5=CC=CC=C45

InChI

InChIKey=XBAMJZTXGWPTRM-NTXHKPOFSA-N

InChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3/t13-,16+,19+,20-,22-,23+,24-,26+,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H34N2O9
Molecular Weight	530.5669
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:41:06 GMT 2023` Edited by `admin` on `Sat Dec 16 17:41:06 GMT 2023`
Record UNII	45T874R5N4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Strictosidine

Common Name

English

3-Isovincoside

Common Name

English

STRICTOSIDIN

Common Name

English

(-)-Strictosidine

Common Name

English

Isovincoside

Common Name

English

Methyl (4S,5R,6S)-5-ethenyl-4-{[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4H-pyran-3-carboxylate

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40943068