(3aR,4R,9S,11aR)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

Compound number:
MolPort-001-740-199
CAS number: 38458-58-1
IUPAC:
(3aR,4R,9S,11aR)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
IUPAC traditional:
eucannabinolide
SMILES:
CC(=O)O[C@H]1C\C=C(C)\C[C@@H](OC(=O)C(\CO)=C\CO)[C@@H]2[C@H](OC(=O)C2=C)\C=C1\C |r,c:6,28|
InChI key:
XYPJAWWDSQFSQA-RTZOPMFNSA-N
Molecular formula:
C22H28O8
Molecular weight: 420.458

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: n/a
Last updated: 3 months ago In warehouse: Unverified
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5 mg August 30, 2019 445.00 USD
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 15 business days Purity: 70
Last updated: this week In warehouse: Unverified
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1 mg September 13, 2019 248.40 USD
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2 mg September 13, 2019 319.70 USD
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3 mg September 13, 2019 391.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-001-740-199
CAS number: 38458-58-1

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000100059617
Eucannabinolide

InChI
InChI: 1S/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10-,16-7+/t17-,18+,19+,20+/m0/s1
InChI key: XYPJAWWDSQFSQA-RTZOPMFNSA-N

Calculated Properties
Molecular formula: C22H28O8
Molecular weight: 420.458

Other

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2019 MolPort, v3.11, release date 23-08-2019 16:00 (+0200). All rights reserved.
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