CompoundList
Sign in
Steroids and sterols

Orb1680418

Also known as Neochlorogenin 6-O-??-D-xylopyranosyl-(1??3)-??-D-quinovopyranoside, Neochlorogenin6-O-|A-D-xylopyranosyl-(1 inverted exclamation marku3)-|A-D-quinovopyranoside

CAS 184686-02-0Formula C38H62O12Molar mass 710.90 g/mol
Get quotes Safety data
Orb1680418 chemical structure, C38H62O12, CAS 184686-02-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
184686-02-0
Formula
C38H62O12
Molar mass
710.90 g/mol
HS code
293890
Category
Steroids and sterols

What is Orb1680418?

Plain description, key identifiers and synonyms

(2S,3R,4S,5R)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-6-methyloxan-4-yl]oxyoxane-3,4,5-triol has been reported in Solanum asperolanatum and Solanum hispidum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3R,4S,5R)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-6-methyloxan-4-yl]oxyoxane-3,4,5-triol
CAS number
184686-02-0
Molecular formula
C38H62O12
InChIKey
SZRYARBVBSFVQW-WYQNDIEYSA-N
InChI
InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18-,19+,20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38+/m0/s1
Canonical SMILES
CC1CCC2(OC1)OC1CC3C4CC(OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)C5CC(O)CCC5(C)C4CCC3(C)C1C2C
Isomeric SMILES
C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)C)C)OC1

Synonyms

  • Neochlorogenin 6-O-??-D-xylopyranosyl-(1??3)-??-D-quinovopyranoside
  • Neochlorogenin6-O-|A-D-xylopyranosyl-(1 inverted exclamation marku3)-|A-D-quinovopyranoside

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
710.90 g/molcalc.
Exact mass
710.4241 Dacalc.
LogP (octanol/water)
2.08calc.
Topological polar surface area
176.8 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
4calc.
Heavy atoms
50calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
22calc.
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, C1CCC(OC2CCOC(OC3CC4C(CCC5C6CC7(CCCCO7)OC6CC54)C4CCCCC34)C2)OC1

C1CCC(OC2CCOC(OC3CC4C(CCC5C6CC7(CCCCO7)OC6CC54)C4CCCCC34)C2)OC1

8 rings, 39 atoms.

5 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.

Orb1680418 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Orb1680418 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Orb1680418 price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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 Orb1680418 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 Orb1680418 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1680418, based on the data on this page

What is Orb1680418?

(2S,3R,4S,5R)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-6-methyloxan-4-yl]oxyoxane-3,4,5-triol has been reported in Solanum asperolanatum and Solanum hispidum.

What is the CAS number of Orb1680418?

The CAS registry number of Orb1680418 is 184686-02-0.

What is the molecular formula and weight of Orb1680418?

The molecular formula of Orb1680418 is C38H62O12 and its molar mass is 710.90 g/mol.

Is Orb1680418 hazardous?

No GHS hazard classification for Orb1680418 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 Orb1680418?

Orb1680418 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 Orb1680418?

Post a free request on CompoundList and suppliers of Orb1680418 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1680418?

Suppliers quote Orb1680418 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 Orb1680418

Get quotes for Orb1680418

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Orb1680418
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Orb1680418 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/orb1680418-184686-02-0" title="Orb1680418 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Steroids and sterols or HS code 293890

Price on request
Free quotes, contact stays private
Get quotes