Roridin L2

CAT: 0013-GTR19222025-01Size: 1 mgDry Ice: NoHazardous: No

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Description

Roridin L2 (CAS 85124-22-7) is a macrocyclic trichothecene mycotoxin used in biochemical research. It serves as a valuable tool for studying protein synthesis inhibition and cellular toxicity mechanisms in both in vitro and in vivo experimental models.

CAS Number

85124-22-7

Field of Research

Metabolism Research

Smiles

CC1=CC2OC3CC (OC (=O) \C=C/C=C/C (=O) OCCC4=CC (=O) OC4) C (C) (C33CO3) C2 (CO) CC1

Molecular Formula

C29H38O9

Molecular Weight

530.614

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

CID 154731728

CAS Number	85124-22-7
PubChem CID	154731728
IUPAC Name	[(1S,2R,7R,9R,11R,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E)-7-hydroxy-6-[2-(5-oxo-2H-furan-3-yl)ethoxy]octa-2,4-dienoate
Molecular Formula	C29H38O9
Molecular Weight	530.6
XLogP	0.9
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	11
Heavy Atom Count	38
Formal Charge	0
Complexity	1080

SMILES

CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)OC(=O)/C=C\C=C\C(C(C)O)OCCC5=CC(=O)OC5)C)CO

InChI

InChI=1S/C29H38O9/c1-18-8-10-28(16-30)23(12-18)37-24-14-22(27(28,3)29(24)17-36-29)38-25(32)7-5-4-6-21(19(2)31)34-11-9-20-13-26(33)35-15-20/h4-7,12-13,19,21-24,30-31H,8-11,14-17H2,1-3H3/b6-4+,7-5-/t19?,21?,22-,23-,24-,27-,28-,29+/m1/s1

InChIKey

JGIYRVDWRBKREW-JNMAXWDTSA-N

Chemical Structure

2D Structure

CAS: 85124-22-7

CID: 154731728

Formula: C29H38O9

MW: 530.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	530.6
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	11
Exact Mass	530.25158279
Monoisotopic Mass	530.25158279
Topological Polar Surface Area	124 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	1080
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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FR171536-01	Roridin A
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T41264-01	Roridin L2
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HY-N14593	Roridin D
HY-N12908	Roridin H

Roridin L2

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