Thapsigargicin
Molecular Formula
C32H46O12
M.W.
622.70
CAS number
67526-94-7
MSDS
Source
Thapsia garganica
Fermentek product Code
THC-001
Brand/grade
For research
Appearance
White powder
Purity by HPLC
≥98% ; refer to CoA for more data
Purity By TLC
≥98% ; refer to CoA for more data
Solubility test
Clear colorless solution at 10mg/ml Acetonitrile
Names and identifiers

Synonyms:
Hexanoic acid, (3S,​3aR,​4S,​6S,​6aR,​7S,​8S,​9bS)​-​6-​(acetyloxy)​-​2,​3,​3a,​4,​5,​6,​6a,​7,​8,​9b-​decahydro-​3,​3a-​dihydroxy-​3,​6,​9-​trimethyl-​8-​[[(2Z)​-​2-​methyl-​1-​oxo-​2-​buten-​1-​yl]​oxy]​-​2-​oxo-​4-​(1-​oxobutoxy)​azuleno[4,​5-​b]​furan-​7-​yl ester

Chemical names:

IUPAC:    (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-Acetoxy-4-(butyryloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methyl-2-butenoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl hexanoate

RTECS#    Not available

 

EU number
636-165-6
Description

Hexaoxygenated tetra-acylated sesquiterpene lactone tetraester isolated from roots of Thapsia garganica; it induces mast cell degranulation and histamine release; it is an analog of thapsigargin.

InChl Key
LXWLOFYIORKNSA-FFOGNQQCSA-N
Canonical SMILES
CCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O
Isomeric SMILES
CCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O
Compound Classification

Chemical classification: Sesquiterpene
Hexaoxygenated tetraacylated sesquiterpene lactone tetraester .

Storage, handling
Store in a freezer upon arrival, at -10°C to -25°C
Protect from moisture
Open carefully.
Use the original container to store the product.
Keep the lid tightly closed.
Avoid exposing to strong direct light.
Other vendors may recommend higher temperatures for storage.
Retest time
3 Years
Disclaimer
For Research use only
Not for Human or Drug use
Not extracted from humans or animals
Refer to MSDS for further safety and handling instructions
Ingredient type
Fermentek product
Shipped at ambient temperature
Transport safety: Not Dangerous Goods; Not Regulated
Available since
Fermentek Product Category
Plant-derived
Cancer Related Compounds
Anti Tumor agents
Signal to sort
T

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Price
$1.00
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