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Heterocyclic compounds

Orb1680509

CAS 388582-37-4Formula C56H42O12Molar mass 906.94 g/mol
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Orb1680509 chemical structure, C56H42O12, CAS 388582-37-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
388582-37-4
Formula
C56H42O12
Molar mass
906.94 g/mol
HS code
293299
Category
Heterocyclic compounds

What is Orb1680509?

Plain description, key identifiers and synonyms

YQQUILZPDYJDQJ-QWJFNKQSSA-N has been reported in Dipterocarpus grandiflorus and Vitis chunganensis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,8S,9R,16S)-8,16-bis(4-hydroxyphenyl)-9-[(1S,8S,9R,16S)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
CAS number
388582-37-4
Molecular formula
C56H42O12
InChIKey
YQQUILZPDYJDQJ-QWJFNKQSSA-N
InChI
InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H/t45-,46-,51-,52-,53-,54-,55+,56+/m0/s1
Canonical SMILES
Oc1ccc(C2Oc3cc(O)cc4c3C2c2cc(O)cc(O)c2C(c2ccc(O)cc2)C4C2c3cc(O)cc4c3C(c3cc(O)cc(O)c3C2c2ccc(O)cc2)C(c2ccc(O)cc2)O4)cc1
Isomeric SMILES
C1=CC(=CC=C1[C@@H]2[C@H](C3=C4[C@@H]([C@H](OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)[C@@H]7[C@H](C8=C(C=C(C=C8O)O)[C@@H]9[C@H](OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)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
906.94 g/molcalc.
Exact mass
906.2676 Dacalc.
LogP (octanol/water)
10.43calc.
Topological polar surface area
220.8 Ųcalc.
Hydrogen bond donors
10calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
5calc.
Heavy atoms
68calc.
Rings
12calc.
Aromatic rings
8calc.
Fraction sp3 carbons
0.14calc.
Formal charge
0calc.
Stereocentres
8calc.
Lipinski rule of five
Fails (4 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, c1ccc(C2Oc3cccc4c3C2c2ccccc2C(c2ccccc2)C4C2c3cccc4c3C(c3ccccc3C2c2ccccc2)C(c2ccccc2)O4)cc1

c1ccc(C2Oc3cccc4c3C2c2ccccc2C(c2ccccc2)C4C2c3cccc4c3C(c3ccccc3C2c2ccccc2)C(c2ccccc2)O4)cc1

12 rings, 58 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.

Orb1680509 suppliers

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Orb1680509 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 Orb1680509 is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb1680509 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1680509, based on the data on this page

What is Orb1680509?

YQQUILZPDYJDQJ-QWJFNKQSSA-N has been reported in Dipterocarpus grandiflorus and Vitis chunganensis.

What is the CAS number of Orb1680509?

The CAS registry number of Orb1680509 is 388582-37-4.

What is the molecular formula and weight of Orb1680509?

The molecular formula of Orb1680509 is C56H42O12 and its molar mass is 906.94 g/mol.

Is Orb1680509 hazardous?

No GHS hazard classification for Orb1680509 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 Orb1680509?

Orb1680509 is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1680509?

Post a free request on CompoundList and suppliers of Orb1680509 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1680509?

Suppliers quote Orb1680509 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

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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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