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Steroids and sterols

Gitoxin, 3''-acetate

CAS 20231-86-1Formula C43H66O15Molar mass 822.99 g/mol
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Gitoxin, 3''-acetate chemical structure, C43H66O15, CAS 20231-86-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
20231-86-1
Formula
C43H66O15
Molar mass
822.99 g/mol
HS code
293220
Category
Steroids and sterols

What is Gitoxin, 3''-acetate?

Plain description, key identifiers and synonyms

Gitoxin, 3''-acetate is a chemical substance with the molecular formula C43H66O15 and a molar mass of 822.99 g/mol. Its CAS registry number is 20231-86-1. The IUPAC name is [(2R,3R,4S,6R)-6-[(2R,3R,4S,6S)-6-[[(3S,5R,8R,9S,10S,13R,16S,17R)-14,16-dihydroxy-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]-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-4-yl]oxy-3-hydroxy-2-methyloxan-4-yl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2R,3R,4S,6R)-6-[(2R,3R,4S,6S)-6-[[(3S,5R,8R,9S,10S,13R,16S,17R)-14,16-dihydroxy-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]-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-4-yl]oxy-3-hydroxy-2-methyloxan-4-yl] acetate
CAS number
20231-86-1
Molecular formula
C43H66O15
InChIKey
JFJBXUKRGBWKFR-LBACTLGPSA-N
InChI
InChI=1S/C43H66O15/c1-20-38(48)29(45)15-34(52-20)58-40-22(3)54-35(17-32(40)57-36-16-31(55-23(4)44)39(49)21(2)53-36)56-26-9-11-41(5)25(14-26)7-8-28-27(41)10-12-42(6)37(24-13-33(47)51-19-24)30(46)18-43(28,42)50/h13,20-22,25-32,34-40,45-46,48-50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27+,28-,29+,30+,31+,32+,34-,35-,36-,37+,38-,39-,40-,41+,42-,43?/m1/s1
Canonical SMILES
CC(=O)OC1CC(OC2CC(OC3CCC4(C)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)C(O)CC54O)C3)OC(C)C2OC2CC(O)C(O)C(C)O2)OC(C)C1O
Isomeric SMILES
C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@@H]2[C@H](O[C@@H](C[C@@H]2O[C@@H]3C[C@@H]([C@@H]([C@H](O3)C)O)OC(=O)C)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7(C6(C[C@@H]([C@@H]7C8=CC(=O)OC8)O)O)C)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
822.99 g/molcalc.
Exact mass
822.4402 Dacalc.
LogP (octanol/water)
2.79calc.
Topological polar surface area
209.1 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
15calc.
Rotatable bonds
8calc.
Heavy atoms
58calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.91calc.
Formal charge
0calc.
Stereocentres
21calc.
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(OC5CC(OC6CCCCO6)C(OC6CCCCO6)CO5)CC4CCC23)CO1

O=C1C=C(C2CCC3C2CCC2C4CCC(OC5CC(OC6CCCCO6)C(OC6CCCCO6)CO5)CC4CCC23)CO1

8 rings, 44 atoms.

12 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.

Gitoxin, 3''-acetate suppliers

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Gitoxin, 3''-acetate 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 Gitoxin, 3''-acetate 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 Gitoxin, 3''-acetate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Gitoxin, 3''-acetate, based on the data on this page

What is Gitoxin, 3''-acetate?

Gitoxin, 3''-acetate is a chemical substance with the molecular formula C43H66O15 and a molar mass of 822.99 g/mol. Its CAS registry number is 20231-86-1.

What is the CAS number of Gitoxin, 3''-acetate?

The CAS registry number of Gitoxin, 3''-acetate is 20231-86-1.

What is the molecular formula and weight of Gitoxin, 3''-acetate?

The molecular formula of Gitoxin, 3''-acetate is C43H66O15 and its molar mass is 822.99 g/mol.

Is Gitoxin, 3''-acetate hazardous?

No GHS hazard classification for Gitoxin, 3''-acetate 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 Gitoxin, 3''-acetate?

Gitoxin, 3''-acetate is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Gitoxin, 3''-acetate?

Post a free request on CompoundList and suppliers of Gitoxin, 3''-acetate will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Gitoxin, 3''-acetate?

Suppliers quote Gitoxin, 3''-acetate 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 Gitoxin, 3''-acetate

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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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