Dihydrotubingensin B

AlkaPlorer ID: AK095364

Synonym: None

IUPAC Name: (1S,15R,18S,19R,22S)-18,19-dimethyl-15-propan-2-yl-11-azahexacyclo[13.7.2.01,18.02,14.04,12.05,10]tetracosa-2(14),4(12),5,7,9-pentaen-22-ol

Structure

SMILES: CC(C)[C@@]12CC[C@@]3(C)[C@H](C)CC[C@H](O)[C@]3(CC1)C1=C2CC2=C(C1)C1=CC=CC=C1N2

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InChI: InChI=1S/C28H37NO/c1-17(2)27-12-11-26(4)18(3)9-10-25(30)28(26,14-13-27)22-15-20-19-7-5-6-8-23(19)29-24(20)16-21(22)27/h5-8,17-18,25,29-30H,9-16H2,1-4H3/t18-,25+,26+,27-,28+/m1/s1

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InChIKey: ARUCPINIFJXYOH-ZARMMOAGSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aspergillus tubingensis Aspergillus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 403.6100000000001

TPSA: 36.02

MolLogP: 6.576600000000008

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information