Calanolide B

(16R,17S,18R)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one

CAS: 142632-33-5

Molecular Formula	`C22H26O5`
Molecular Weight	370.4 g/mol
LogP	3.8
Topological Polar Surface Area	65.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	370.178
Heavy Atoms	27
Complexity	666.0

Chemical Identifiers

CAS Number	142632-33-5
SMILES	`CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(C(C(O4)C)C)O`
InChIKey	`NIDRYBLTWYFCFV-SEDUGSJDSA-N`

📖 Product Overview

Calanolide B (CAS: 142632-33-5) is a chemical compound with molecular formula C22H26O5 and molecular weight 370.4 g/mol. Its IUPAC systematic name is (16R,17S,18R)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one. LogP 3.8 Topological Polar Surface Area 65.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 370.178 Heavy Atoms 27 Complexity 666.0 InChI Key: NIDRYBLTWYFCFV-SEDUGSJDSA-N. SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(C(C(O4)C)C)O.

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