Tolytoxin

CAT: 0013-GTR19208321-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19208321-03Size:25 mg

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Description

Tolytoxin is a cytostatic and antifungal macrolide isolated from Scytonema cyanobacteria. It acts as a potent and reversible inhibitor of cytokinesis in mammalian cell cultures, making it a valuable tool for studying cell division mechanisms in vitro. Its applications extend to research in cell biology, oncology, and antifungal discovery.

CAS Number

127999-44-4

Smiles

O (C) [C@@H]1[C@@]2 ([C@@H] (OC) C[C@]3 (O[C@] (C[C@@H] (OC) [C@@H] (O) /C=C (\C) /C=C/C (=O) O[C@] ([C@H] ([C@H] ([C@H] (CCC ([C@@H] ([C@@H] ([C@@H] (/C=C/N (C=O) C) C) OC) C) =O) C) O) C) ([C@@H] (C) [C@H] (OC) C1) [H]) (C=CC3) [H]) [H]) CO2

Molecular Formula

C46H75NO13

Molecular Weight

850.09

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Tolytoxin

Tolytoxin is a diterpene lactone.

CAS Number	127999-44-4
PubChem CID	6440827
IUPAC Name	N-[(E,3R,4R,5R,9S,10S,11S)-10-hydroxy-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,16S,17R,19R)-16-hydroxy-3,5,7,17-tetramethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl]-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylformamide
Molecular Formula	C46H75NO13
Molecular Weight	850.1
XLogP	3.9
Topological Polar Surface Area	172
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	16
Heavy Atom Count	60
Formal Charge	0
Complexity	1470

SMILES

C[C@H]1[C@@H](C[C@@H]([C@]2(CO2)[C@H](C[C@@H]3CC=C[C@H](O3)C[C@H]([C@H](/C=C(/C=C/C(=O)O[C@@H]1[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC)O)\C)O)OC)OC)OC)OC

InChI

InChI=1S/C46H75NO13/c1-28-16-19-42(51)60-45(33(6)43(52)29(2)17-18-36(49)31(4)44(57-12)30(3)20-21-47(7)27-48)32(5)38(53-8)25-41(56-11)46(26-58-46)40(55-10)24-35-15-13-14-34(59-35)23-39(54-9)37(50)22-28/h13-14,16,19-22,27,29-35,37-41,43-45,50,52H,15,17-18,23-26H2,1-12H3/b19-16+,21-20+,28-22+/t29-,30+,31-,32-,33-,34-,35-,37-,38+,39+,40-,41-,43-,44+,45-,46-/m0/s1

InChIKey

FTGOWEQDZZMPNJ-GUMZKTDUSA-N

Chemical Structure

2D Structure

CAS: 127999-44-4

CID: 6440827

Formula: C46H75NO13

MW: 850.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	850.1
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	16
Exact Mass	849.52384145
Monoisotopic Mass	849.52384145
Topological Polar Surface Area	172 Å²
Heavy Atom Count	60
Formal Charge	0
Complexity	1470
Isotope Atom Count	0
Defined Atom Stereocenter Count	16
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5813604	Tolytoxin

Tolytoxin

Chemical Information

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