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Hypocrellin A

Catalog Number

ACM77029835-1

CAS

77029-83-5

Structure

IUPAC Name

12-Acetyl-9,13,17-trihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2(11),3(8),4(22),5,9,16,18(23),20-nonaene-7,19-dione

Synonyms

1H-Cyclohepta[ghi]perylene-5,12-dione,1-acetyl-2,3-dihydro-2,6,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-,stereoisomer

Molecular Weight

546.53

Molecular Formula

C30H26O10

Canonical SMILES

CC(=O)C1C2=C3C4=C(CC1(C)O)C(=C(C5=C4C(=C6C3=C(C(=O)C=C6OC)C(=C2OC)O)C(=CC5=O)OC)O)OC

InChI

InChI=1S/C30H26O10/c1-10(31)25-24-22-16-11(9-30(25,2)36)28(39-5)26(34)17-12(32)7-14(37-3)19(21(16)17)20-15(38-4)8-13(33)18(23(20)22)27(35)29(24)40-6/h7-8,25,34-36H,9H2,1-6H3

InChI Key

VANSZAOQCMTTPB-UHFFFAOYSA-N

Boiling Point

922.8±65.0 °C

Melting Point

209-210 °C

Purity

98%

Density

1.55±0.1 g/ml

Appearance

Powder

Active Content

95%

Physical State

Solid

Typical Applications

Use as antioxidant.
Use as photosensitizing agent.

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

Custom Q&A

What is the molecular formula of 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine?

The molecular formula is C7H10N2.

When was the PubChem CID for 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine created and last modified?

The CID was created on 2005-07-11 and last modified on 2023-12-30.

What is the IUPAC name of 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine?

The IUPAC name is 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

What is the InChI key for 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine?

The InChI key is YZBDXDPBLIQCJY-UHFFFAOYSA-N.

What is the Canonical SMILES representation of 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine?

The Canonical SMILES representation is C1CN2C=CC=C2CN1.

What is the molecular weight of 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine?

The molecular weight is 122.17 g/mol.

How many hydrogen bond donor counts are there in 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine?

There is 1 hydrogen bond donor count.

Is 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine a canonicalized compound?

Yes, the compound is canonicalized.

What is the topological polar surface area of 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine?

The topological polar surface area is 172.

How many defined atom stereocenter counts are there in 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine?

There are 0 defined atom stereocenter counts.

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