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Glycosides and other natural products

Macrophyllicinin

CAS 153288-84-7Formula C56H90O25Molar mass 1,163.31 g/mol
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Macrophyllicinin chemical structure, C56H90O25, CAS 153288-84-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
153288-84-7
Formula
C56H90O25
Molar mass
1,163.31 g/mol
HS code
293890
Category
Glycosides and other natural products

What is Macrophyllicinin?

Plain description, key identifiers and synonyms

Macrophyllicinin has been reported in Primula macrophylla.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(5S,6aR,6bS,8S,8aS,12aR,14bR)-8a-(acetyloxymethyl)-5,8-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] (2S,3S,4S,5R,6R)-3-hydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylate
CAS number
153288-84-7
Molecular formula
C56H90O25
InChIKey
UTSJMDCMTNWPES-XKWSIZEHSA-N
InChI
InChI=1S/C56H90O25/c1-22-32(62)35(65)38(68)47(74-22)78-42-41(71)43(79-50(81-49-40(70)37(67)34(64)28(20-58)76-49)44(42)80-48-39(69)36(66)33(63)27(19-57)75-48)46(72)77-31-12-13-53(7)29-11-10-24-25-16-51(3,4)14-15-56(25,21-73-23(2)59)30(61)18-54(24,8)55(29,9)17-26(60)45(53)52(31,5)6/h10,22,25-45,47-50,57-58,60-71H,11-21H2,1-9H3/t22-,25+,26-,27+,28+,29?,30-,31?,32-,33+,34-,35+,36-,37-,38+,39+,40+,41-,42-,43-,44+,45?,47-,48+,49+,50+,53+,54+,55+,56+/m0/s1
Canonical SMILES
CC(=O)OCC12CCC(C)(C)CC1C1=CCC3C4(C)CCC(OC(=O)C5OC(OC6OC(CO)C(O)C(O)C6O)C(OC6OC(CO)C(O)C(O)C6O)C(OC6OC(C)C(O)C(O)C6O)C5O)C(C)(C)C4C(O)CC3(C)C1(C)CC2O
Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C(=O)OC5CC[C@@]6(C7CC=C8[C@H]9CC(CC[C@@]9([C@H](C[C@]8([C@@]7(C[C@@H](C6C5(C)C)O)C)C)O)COC(=O)C)(C)C)C)O)O)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
1,163.31 g/molcalc.
Exact mass
1,162.5771 Dacalc.
LogP (octanol/water)
-2.5calc.
Topological polar surface area
400.4 Ųcalc.
Hydrogen bond donors
14calc.
Hydrogen bond acceptors
25calc.
Rotatable bonds
12calc.
Heavy atoms
81calc.
Rings
9calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.93calc.
Formal charge
0calc.
Stereocentres
30calc.
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, O=C(OC1CCC2C(CCC3C4CCC5CCCCC5C4=CCC23)C1)C1CC(OC2CCCCO2)C(OC2CCCCO2)C(OC2CCCCO2)O1

O=C(OC1CCC2C(CCC3C4CCC5CCCCC5C4=CCC23)C1)C1CC(OC2CCCCO2)C(OC2CCCCO2)C(OC2CCCCO2)O1

9 rings, 52 atoms.

1 other chemical 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.

Macrophyllicinin suppliers

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

Frequently asked questions

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

What is Macrophyllicinin?

Macrophyllicinin has been reported in Primula macrophylla.

What is the CAS number of Macrophyllicinin?

The CAS registry number of Macrophyllicinin is 153288-84-7.

What is the molecular formula and weight of Macrophyllicinin?

The molecular formula of Macrophyllicinin is C56H90O25 and its molar mass is 1,163.31 g/mol.

Is Macrophyllicinin hazardous?

No GHS hazard classification for Macrophyllicinin 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 Macrophyllicinin?

Macrophyllicinin 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 Macrophyllicinin?

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

What is the price of Macrophyllicinin?

Suppliers quote Macrophyllicinin 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 Macrophyllicinin

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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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