Navigation

name Structure Reference Source Properties Activities Metabolism

(1R,2S,10S,11R,13R,14S,19S)-7-{4-[(1R,2S,10S,11R,13R,14S,19S)-11-(acetyloxy)-1,10,14,18,18-pentamethyl-7-azapentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,5,8-trien-7-yl]butyl}-1,10,14,18,18-pentamethyl-7-azapentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,

AlkaPlorer ID: AK363800

Synonym: None

IUPAC Name: [2-[4-(13-acetyloxy-5b,8,8,11a,13a-pentamethyl-5a,6,7,7a,9,10,11,11b,12,13-decahydrophenanthro[2,1-e]isoindol-2-yl)butyl]-5b,8,8,11a,13a-pentamethyl-5a,6,7,7a,9,10,11,11b,12,13-decahydrophenanthro[2,1-e]isoindol-13-yl] acetate

Structure

SMILES: CC(=O)OC1CC2C3(C)CCCC(C)(C)C3CCC2(C)C2C=CC3=CN(CCCCN4C=C5C=CC6C7(C)CCC8C(C)(C)CCCC8(C)C7CC(OC(C)=O)C6(C)C5=C4)C=C3C12C

copy

InChI: InChI=1S/C58H84N2O4/c1-37(61)63-49-31-47-53(7)25-15-23-51(3,4)43(53)21-27-55(47,9)45-19-17-39-33-59(35-41(39)57(45,49)11)29-13-14-30-60-34-40-18-20-46-56(10)28-22-44-52(5,6)24-16-26-54(44,8)48(56)32-50(64-38(2)62)58(46,12)42(40)36-60/h17-20,33-36,43-50H,13-16,21-32H2,1-12H3

copy

InChIKey: DDWMBBUPKZFUBF-UHFFFAOYSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Cacospongia mollior Cacospongia Thorectidae Dictyoceratida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 873.3199999999995

TPSA？: 62.46

MolLogP？: 13.739999999999975

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information