Dolichorrhizin

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Dolichorrhizin
Category Others
Catalog number BBF-05341
CAS 3607-97-4
Molecular Weight 486.77
Molecular Formula C32H54O3

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Specification

Synonyms 15α-Acetyloxyhopan-22-ol; Hopane-15α,22-diol 15-acetate; Acetic acid (3S,3aS,5S,5aR,5bR,11aS,13aR,13bS)-3-(1-hydroxy-1-methyl-ethyl)-5a,5b,8,8,11a,13b-hexamethyl-icosahydro-cyclopenta[a]chrysen-5-yl ester
IUPAC Name [(3S,3aS,5S,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-5-yl] acetate
Canonical SMILES CC(=O)OC1CC2C(CCC2(C3C1(C4(CCC5C(CCCC5(C4CC3)C)(C)C)C)C)C)C(C)(C)O
InChI InChI=1S/C32H54O3/c1-20(33)35-26-19-22-21(28(4,5)34)13-17-29(22,6)25-12-11-24-30(7)16-10-15-27(2,3)23(30)14-18-31(24,8)32(25,26)9/h21-26,34H,10-19H2,1-9H3/t21-,22-,23-,24+,25+,26-,29-,30-,31+,32-/m0/s1
InChI Key RABGCIVYLSICGM-OSGMSVDOSA-N

Properties

Boiling Point 529.0±23.0°C at 760 mmHg
Melting Point 201-202°C
Density 1.0±0.1 g/cm3

Reference Reading

1. Constituents of the lichen Peltigera dolichorrhiza
Kazuko Yoshikawa, Erika Kunioka, Naoki Kokudo, Toshihiro Hashimoto J Nat Med. 2010 Jul;64(3):362-4. doi: 10.1007/s11418-010-0409-6. Epub 2010 Mar 27.
A new aromatic derivative, 5-(3,4-dihydroxyphenyl)-3-methylcyclohex-2-enone (1), and three known compounds, peltigerine, solorinine, and phenyl butanoid, were isolated from the MeOH extract of the lichen Peltigera dolichorrhiza (Peltigeraceae). Their structures were determined by 1D and 2D nuclear magnetic resonance and mass spectroscopy analysis.

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Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
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