CompoundList
Sign in
Impurities and reference standards

Trabectedine impurity E

CAS 1376626-08-2Formula C39H41N3O11SMolar mass 759.83 g/mol
Get quotes Safety data
Trabectedine impurity E chemical structure, C39H41N3O11S, CAS 1376626-08-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1376626-08-2
Formula
C39H41N3O11S
Molar mass
759.83 g/mol
HS code
293499
Category
Impurities and reference standards

What is Trabectedine impurity E?

Plain description, key identifiers and synonyms

Trabectedine impurity E is a chemical substance with the molecular formula C39H41N3O11S and a molar mass of 759.83 g/mol. Its CAS registry number is 1376626-08-2. The IUPAC name is [(1R,2R,3R,11S,14R,26R)-5,6'-dihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-12,27-dioxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,2R,3R,11S,14R,26R)-5,6'-dihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-12,27-dioxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate
CAS number
1376626-08-2
Molecular formula
C39H41N3O11S
InChIKey
HURGLJIPFDYHTH-YAJOLDMGSA-N
InChI
InChI=1S/C39H41N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36,40,44-45H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,39+/m0/s1
Canonical SMILES
COc1cc2c(cc1O)CCNC21CSC2c3c(OC(C)=O)c(C)c4c(c3C(COC1=O)N1C(=O)C3Cc5cc(C)c(OC)c(O)c5C(C21)N3C)OCO4
Isomeric SMILES
CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4C(=O)[C@H](C2)N3C)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O

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
759.83 g/molcalc.
Exact mass
759.2462 Dacalc.
LogP (octanol/water)
3.62calc.
Topological polar surface area
165.6 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
3calc.
Heavy atoms
54calc.
Rings
10calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
6calc.
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=C1C2Cc3ccccc3C(N2)C2C3SCC4(NCCc5ccccc54)C(=O)OCC(c4c3ccc3c4OCO3)N12

O=C1C2Cc3ccccc3C(N2)C2C3SCC4(NCCc5ccccc54)C(=O)OCC(c4c3ccc3c4OCO3)N12

10 rings, 41 atoms.

No other chemical in our database has 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.

Trabectedine impurity E suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Trabectedine impurity E can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Trabectedine impurity E price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

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 Trabectedine impurity E is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Trabectedine impurity E, based on the data on this page

What is Trabectedine impurity E?

Trabectedine impurity E is a chemical substance with the molecular formula C39H41N3O11S and a molar mass of 759.83 g/mol. Its CAS registry number is 1376626-08-2.

What is the CAS number of Trabectedine impurity E?

The CAS registry number of Trabectedine impurity E is 1376626-08-2.

What is the molecular formula and weight of Trabectedine impurity E?

The molecular formula of Trabectedine impurity E is C39H41N3O11S and its molar mass is 759.83 g/mol.

What is Trabectedine impurity E used for?

Known uses and roles of Trabectedine impurity E include polymer antioxidants in plastics and polymers.

Is Trabectedine impurity E hazardous?

No GHS hazard classification for Trabectedine impurity 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 Trabectedine impurity E?

Trabectedine impurity E is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Trabectedine impurity E?

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

What is the price of Trabectedine impurity E?

Suppliers quote Trabectedine impurity 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 Trabectedine impurity E

Get quotes for Trabectedine impurity E

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Trabectedine impurity E
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Trabectedine impurity E with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/trabectedine-impurity-e-1376626-08-2" title="Trabectedine impurity E structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Impurities and reference standards or HS code 293499

Price on request
Free quotes, contact stays private
Get quotes