Molecule

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(3S)-3-[(1R,2R,5R,6R,9S,10R,13R,14S,19S)-1,2,9,14,18,18-hexamethylpentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-6-yl]butyl]oxolane-3,4-diol

AlkaPlorer ID: AK320459

Synonym: None

IUPAC Name: 2-[3-(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-3-yl)butyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol

Structure

SMILES: CC(CCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C

InChI: InChI=1S/C40H63N5O3/c1-23(9-10-26-31(46)32(47)35(48-26)45-22-44-30-33(41)42-21-43-34(30)45)24-13-18-37(4)25(24)14-19-39(6)28(37)11-12-29-38(5)17-8-16-36(2,3)27(38)15-20-40(29,39)7/h21-29,31-32,35,46-47H,8-20H2,1-7H3,(H2,41,42,43)

InChIKey: YCIUCIBXUZOYMY-UHFFFAOYSA-N

Reference

Novel bacterial triterpenoids of the hopane series from Nitrosomonas europaea and their significance for the formation of the C35 bacteriohopane skeleton

PubChem CID: 74819523

LOTUS: LTS0116277

COCONUT: CNP0349694.3

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Methylobacterium organophilum	Methylobacterium	Methylobacteriaceae	Hyphomicrobiales	Alphaproteobacteria	Pseudomonadota	None	Bacteria
Rhodopseudomonas palustris	Rhodopseudomonas	Nitrobacteraceae	Hyphomicrobiales	Alphaproteobacteria	Pseudomonadota	None	Bacteria
Streptomyces coelicolor	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 661.9759999999999

TPSA？: 119.31000000000002

MolLogP？: 7.935500000000009

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi