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Screening compounds

Tasumatrol E

Also known as tasumatrols E

CAS 830337-17-2Formula C33H44O13Molar mass 648.70 g/mol
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Tasumatrol E chemical structure, C33H44O13, CAS 830337-17-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
830337-17-2
Formula
C33H44O13
Molar mass
648.70 g/mol
HS code
291631
Category
Screening compounds

What is Tasumatrol E?

Plain description, key identifiers and synonyms

Tasumatrol E is a taxane diterpenoid isolated from Taxus sumatrana and has been shown to exhibit antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a tertiary alcohol, a secondary alcohol, a benzoate ester, a carbotricyclic compound, an acetate ester and a taxane diterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S,4R,5R,5aS,6S,8S,9S,9aR,10S,10aS)-6,8-diacetyloxy-9-(acetyloxymethyl)-2,4,9,10-tetrahydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulen-5-yl] benzoate
CAS number
830337-17-2
Molecular formula
C33H44O13
InChIKey
LERGIFKZIYQODU-KNIUGVHDSA-N
InChI
InChI=1S/C33H44O13/c1-16-21(37)14-32(30(5,6)41)24(16)25(38)28(46-29(40)20-11-9-8-10-12-20)31(7)22(44-18(3)35)13-23(45-19(4)36)33(42,15-43-17(2)34)26(31)27(32)39/h8-12,21-23,25-28,37-39,41-42H,13-15H2,1-7H3/t21-,22-,23-,25+,26-,27-,28-,31+,32-,33-/m0/s1
Canonical SMILES
CC(=O)OCC1(O)C(OC(C)=O)CC(OC(C)=O)C2(C)C(OC(=O)c3ccccc3)C(O)C3=C(C)C(O)CC3(C(C)(C)O)C(O)C12
Isomeric SMILES
CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]([C@]([C@H]3[C@@H]([C@@]2(C[C@@H]1O)C(C)(C)O)O)(COC(=O)C)O)OC(=O)C)OC(=O)C)C)OC(=O)C4=CC=CC=C4)O

Synonyms

  • tasumatrols E

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
648.70 g/molcalc.
Exact mass
648.2782 Dacalc.
LogP (octanol/water)
0.97calc.
Topological polar surface area
206.4 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
7calc.
Heavy atoms
46calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(OC1CC2=CCCC2CC2CCCCC21)c1ccccc1

O=C(OC1CC2=CCCC2CC2CCCCC21)c1ccccc1

4 rings, 23 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Tasumatrol E suppliers

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Tasumatrol E price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • metabolite
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Tasumatrol E is traded under.

HS 2916.31Indicative HS code

Benzoic acid, its salts and esters

World exports in 2024
$668M
+12.0% vs 2023, imports $664M
2019 to 2024
Top exporters
  1. China30.7%
  2. Netherlands29.8%
  3. Estonia9.9%
Top importers
  1. United States14.7%
  2. Germany8.8%
  3. Brazil5.1%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Tasumatrol E is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Tasumatrol E, based on the data on this page

What is Tasumatrol E?

Tasumatrol E is a taxane diterpenoid isolated from Taxus sumatrana and has been shown to exhibit antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a tertiary alcohol, a secondary alcohol, a benzoate ester, a carbotricyclic compound, an acetate ester and a taxane diterpenoid.

What is the CAS number of Tasumatrol E?

The CAS registry number of Tasumatrol E is 830337-17-2.

What is the molecular formula and weight of Tasumatrol E?

The molecular formula of Tasumatrol E is C33H44O13 and its molar mass is 648.70 g/mol.

What is Tasumatrol E used for?

Known uses and roles of Tasumatrol E include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent, metabolite and pharmaceutical.

Is Tasumatrol E hazardous?

No GHS hazard classification for Tasumatrol E is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Tasumatrol E?

Tasumatrol E is usually classified under HS code 291631 (Benzoic acid, its salts and esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Tasumatrol E?

Post a free request on CompoundList and suppliers of Tasumatrol E will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Tasumatrol E?

Suppliers quote Tasumatrol E on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Tasumatrol E

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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