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Steroids and sterols

Orb3179148

CAS 88797-64-2Formula C55H88O21Molar mass 1,085.29 g/mol
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Orb3179148 chemical structure, C55H88O21, CAS 88797-64-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
88797-64-2
Formula
C55H88O21
Molar mass
1,085.29 g/mol
HS code
293890
Category
Steroids and sterols

What is Orb3179148?

Plain description, key identifiers and synonyms

Orb3179148 is a chemical substance with the molecular formula C55H88O21 and a molar mass of 1,085.29 g/mol. Its CAS registry number is 88797-64-2. The IUPAC name is [(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate
CAS number
88797-64-2
Molecular formula
C55H88O21
InChIKey
IVRMIASBKXXYNR-YUOGMGIRSA-N
InChI
InChI=1S/C55H88O21/c1-26(2)27(3)19-40(58)73-39-24-38-51(8)15-14-33(20-32(51)13-16-54(38,63)55(64)18-17-53(62,31(7)57)52(39,55)9)71-41-21-34(65-10)47(28(4)68-41)74-42-22-35(66-11)48(29(5)69-42)75-43-23-36(67-12)49(30(6)70-43)76-50-46(61)45(60)44(59)37(25-56)72-50/h13,19,26,28-30,33-39,41-50,56,59-64H,14-18,20-25H2,1-12H3/b27-19+/t28-,29-,30-,33+,34+,35+,36-,37-,38-,39-,41+,42+,43+,44-,45+,46-,47-,48-,49-,50+,51+,52-,53-,54+,55-/m1/s1
Canonical SMILES
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(=O)C=C(C)C(C)C)C3(C)C(O)(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1
Isomeric SMILES
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4C[C@H]([C@@]5([C@@](CC[C@@]5([C@@]4(CC=C3C2)O)O)(C(=O)C)O)C)OC(=O)/C=C(\C)/C(C)C)C)OC)O[C@H]6C[C@@H]([C@@H]([C@H](O6)C)O[C@H]7C[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)OC)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
1,085.29 g/molcalc.
Exact mass
1,084.5818 Dacalc.
LogP (octanol/water)
2.41calc.
Topological polar surface area
286.5 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
21calc.
Rotatable bonds
16calc.
Heavy atoms
76calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.89calc.
Formal charge
0calc.
Stereocentres
25calc.
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(OC3CCC(OC4CCC(OC5CCC(OC6CCCCO6)CO5)CO4)CO3)CCC2C2CCC3CCCC3C2C1

C1=C2CC(OC3CCC(OC4CCC(OC5CCC(OC6CCCCO6)CO5)CO4)CO3)CCC2C2CCC3CCCC3C2C1

8 rings, 45 atoms.

6 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.

Orb3179148 suppliers

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Orb3179148 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

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 Orb3179148 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 Orb3179148 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3179148, based on the data on this page

What is Orb3179148?

Orb3179148 is a chemical substance with the molecular formula C55H88O21 and a molar mass of 1,085.29 g/mol. Its CAS registry number is 88797-64-2.

What is the CAS number of Orb3179148?

The CAS registry number of Orb3179148 is 88797-64-2.

What is the molecular formula and weight of Orb3179148?

The molecular formula of Orb3179148 is C55H88O21 and its molar mass is 1,085.29 g/mol.

What is Orb3179148 used for?

Known uses and roles of Orb3179148 include cooling agents in flavors and fragrances.

Is Orb3179148 hazardous?

No GHS hazard classification for Orb3179148 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 Orb3179148?

Orb3179148 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 Orb3179148?

Post a free request on CompoundList and suppliers of Orb3179148 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3179148?

Suppliers quote Orb3179148 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 Orb3179148

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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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