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10-Oxo-11,33-dihydropenitrem B

AlkaPlorer ID: AK029473

Synonym: ''

IUPAC Name: (1S,2R,5S,6R,8R,9S,10R,12S,15R,16S,24R,25S,27S,28S)-5,9-dihydroxy-15,16,24,33,33-pentamethyl-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19(30),20,22(29)-tetraen-23-one

Structure

SMILES: C=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4[C@@H]5OC(C)(C)[C@H]6C[C@H]7[C@@H]6C6=C(C=CC8=C6C5=C(N8)[C@@]43C)C(=O)[C@@H]7C)[C@@]23O[C@@H]3[C@H]1O

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InChI: InChI=1S/C37H45NO6/c1-15(2)29-28(40)32-37(44-32)22(42-29)11-12-34(6)35(7)19(10-13-36(34,37)41)30-26-25-21(38-31(26)35)9-8-17-24(25)23-18(16(3)27(17)39)14-20(23)33(4,5)43-30/h8-9,16,18-20,22-23,28-30,32,38,40-41H,1,10-14H2,2-7H3/t16-,18-,19+,20+,22+,23+,28+,29-,30+,32-,34-,35-,36+,37-/m1/s1

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InChIKey: CAWZUZRJLGSYNE-KVZQTFJJSA-N

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Source

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

Properties Information

Molecule Weight: 599.7680000000004

TPSA？: 104.31

MolLogP？: 5.624400000000007

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information