hypocrellin a

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

CAS: 77029-83-5

Molecular Formula	`C30H26O10`
Molecular Weight	546.5 g/mol
LogP	4.0
Topological Polar Surface Area	149.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	5
Exact Mass	546.1526
Heavy Atoms	40
Complexity	1180.0

Chemical Identifiers

CAS Number	77029-83-5
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`
InChIKey	`VANSZAOQCMTTPB-UHFFFAOYSA-N`

📖 Product Overview

hypocrellin a (CAS: 77029-83-5) is a chemical compound with molecular formula C30H26O10 and molecular weight 546.5 g/mol. Its IUPAC systematic name is 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. LogP 4.0 Topological Polar Surface Area 149.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 10 Rotatable Bonds 5 Exact Mass 546.1526 Heavy Atoms 40 Complexity 1180.0 InChI Key: VANSZAOQCMTTPB-UHFFFAOYSA-N. 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.

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