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Steroids and sterols

Digitoxin dialdehyde

CAS 70877-95-1Formula C41H62O13Molar mass 762.93 g/mol
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Digitoxin dialdehyde chemical structure, C41H62O13, CAS 70877-95-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
70877-95-1
Formula
C41H62O13
Molar mass
762.93 g/mol
HS code
293220
Category
Steroids and sterols

What is Digitoxin dialdehyde?

Plain description, key identifiers and synonyms

Digitoxin dialdehyde is a chemical substance with the molecular formula C41H62O13 and a molar mass of 762.93 g/mol. Its CAS registry number is 70877-95-1. The IUPAC name is (3R)-3-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-3-[(2R)-1-oxopropan-2-yl]oxypropanal.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R)-3-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-3-[(2R)-1-oxopropan-2-yl]oxypropanal
CAS number
70877-95-1
Molecular formula
C41H62O13
InChIKey
FLNQOVCFFFPNSU-PVWLVEIYSA-N
InChI
InChI=1S/C41H62O13/c1-22(20-43)49-34(11-15-42)53-37-23(2)51-36(19-32(37)45)54-38-24(3)50-35(18-31(38)44)52-27-8-12-39(4)26(17-27)6-7-30-29(39)9-13-40(5)28(10-14-41(30,40)47)25-16-33(46)48-21-25/h15-16,20,22-24,26-32,34-38,44-45,47H,6-14,17-19,21H2,1-5H3/t22-,23-,24-,26-,27+,28-,29+,30-,31+,32+,34+,35+,36+,37-,38-,39+,40-,41+/m1/s1
Canonical SMILES
CC(C=O)OC(CC=O)OC1C(O)CC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)CCC54O)C3)OC2C)OC1C
Isomeric SMILES
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@@H](CC=O)O[C@H](C)C=O)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
762.93 g/molcalc.
Exact mass
762.419 Dacalc.
LogP (octanol/water)
3.91calc.
Topological polar surface area
176.5 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
12calc.
Heavy atoms
54calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
Formal charge
0calc.
Stereocentres
18calc.
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=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCCCO6)CO5)CC4CCC23)CO1

O=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCCCO6)CO5)CC4CCC23)CO1

7 rings, 37 atoms.

53 other chemicals 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.

Digitoxin dialdehyde suppliers

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Digitoxin dialdehyde 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Digitoxin dialdehyde is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Digitoxin dialdehyde, based on the data on this page

What is Digitoxin dialdehyde?

Digitoxin dialdehyde is a chemical substance with the molecular formula C41H62O13 and a molar mass of 762.93 g/mol. Its CAS registry number is 70877-95-1.

What is the CAS number of Digitoxin dialdehyde?

The CAS registry number of Digitoxin dialdehyde is 70877-95-1.

What is the molecular formula and weight of Digitoxin dialdehyde?

The molecular formula of Digitoxin dialdehyde is C41H62O13 and its molar mass is 762.93 g/mol.

Is Digitoxin dialdehyde hazardous?

No GHS hazard classification for Digitoxin dialdehyde 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 Digitoxin dialdehyde?

Digitoxin dialdehyde is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Digitoxin dialdehyde?

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What is the price of Digitoxin dialdehyde?

Suppliers quote Digitoxin dialdehyde 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 Digitoxin dialdehyde

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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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