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Steroids and sterols

Orb2695080

CAS 290809-76-6Formula C58H96O27Molar mass 1,225.38 g/mol
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Orb2695080 chemical structure, C58H96O27, CAS 290809-76-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
290809-76-6
Formula
C58H96O27
Molar mass
1,225.38 g/mol
HS code
293890
Category
Steroids and sterols

What is Orb2695080?

Plain description, key identifiers and synonyms

[(25S)-26-(beta-D-Glucopyranosyloxy)-22alpha-methoxyfurosta-5-ene-3beta-yl]2-O-alpha-L-rhamnopyranosyl-3-O-(4-O-beta-D-glucopyranosyl-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside has been reported in Tacca chantrieri.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CAS number
290809-76-6
Molecular formula
C58H96O27
InChIKey
SYSUVSWAEOKAPR-MZVWYRGJSA-N
InChI
InChI=1S/C58H96O27/c1-22(21-75-51-44(70)41(67)37(63)32(18-59)79-51)10-15-58(74-7)23(2)35-31(85-58)17-30-28-9-8-26-16-27(11-13-56(26,5)29(28)12-14-57(30,35)6)78-55-50(84-52-45(71)40(66)36(62)24(3)76-52)49(39(65)34(20-61)81-55)83-53-47(73)43(69)48(25(4)77-53)82-54-46(72)42(68)38(64)33(19-60)80-54/h8,22-25,27-55,59-73H,9-21H2,1-7H3/t22-,23-,24-,25-,27-,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40+,41-,42-,43-,44+,45+,46+,47+,48-,49-,50+,51+,52-,53-,54-,55+,56-,57-,58+/m0/s1
Canonical SMILES
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(C)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C
Isomeric SMILES
C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)O[C@@]1(CC[C@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC

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
1,225.38 g/molcalc.
Exact mass
1,224.6139 Dacalc.
LogP (octanol/water)
-3.5calc.
Topological polar surface area
414.2 Ųcalc.
Hydrogen bond donors
15calc.
Hydrogen bond acceptors
27calc.
Rotatable bonds
18calc.
Heavy atoms
85calc.
Rings
10calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.97calc.
Formal charge
0calc.
Stereocentres
36calc.
Lipinski rule of five
Fails (3 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, C1=C2CC(OC3OCCC(OC4CCC(OC5CCCCO5)CO4)C3OC3CCCCO3)CCC2C2CCC3C4CC(CCCCOC5CCCCO5)OC4CC3C2C1

C1=C2CC(OC3OCCC(OC4CCC(OC5CCCCO5)CO4)C3OC3CCCCO3)CCC2C2CCC3C4CC(CCCCOC5CCCCO5)OC4CC3C2C1

10 rings, 59 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.

Orb2695080 suppliers

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Orb2695080 price

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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 Orb2695080 is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb2695080 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2695080, based on the data on this page

What is Orb2695080?

[(25S)-26-(beta-D-Glucopyranosyloxy)-22alpha-methoxyfurosta-5-ene-3beta-yl]2-O-alpha-L-rhamnopyranosyl-3-O-(4-O-beta-D-glucopyranosyl-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside has been reported in Tacca chantrieri.

What is the CAS number of Orb2695080?

The CAS registry number of Orb2695080 is 290809-76-6.

What is the molecular formula and weight of Orb2695080?

The molecular formula of Orb2695080 is C58H96O27 and its molar mass is 1,225.38 g/mol.

Is Orb2695080 hazardous?

No GHS hazard classification for Orb2695080 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 Orb2695080?

Orb2695080 is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb2695080?

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What is the price of Orb2695080?

Suppliers quote Orb2695080 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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