Not named
AlkaPlorer ID: AK077539
Synonym: None
IUPAC Name: 5-[7-[(3R,5aR,5bR,9S,11aS,13bS)-5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,13a-tetradecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxy-5-methyloctoxy]-4-amino-1-(hydroxymethyl)cyclopentane-1,2,3-triol
Structure
SMILES: CC(CC(C)[C@H]1CC[C@@]2(C)C1CC[C@]1(C)C2C=CC2[C@@]3(C)CC[C@H](C)C(C)(C)C3CC[C@]21C)C(O)C(O)C(O)COC1C(N)C(O)C(O)C1(O)CO
InChI: InChI=1S/C43H75NO8/c1-23(20-24(2)33(47)34(48)28(46)21-52-37-32(44)35(49)36(50)43(37,51)22-45)26-13-17-39(6)27(26)14-18-41(8)30(39)10-11-31-40(7)16-12-25(3)38(4,5)29(40)15-19-42(31,41)9/h10-11,23-37,45-51H,12-22,44H2,1-9H3/t23?,24?,25-,26+,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,39-,40-,41+,42+,43?/m0/s1
InChIKey: WNPSYLUYXAXQSP-VLYGMAJHSA-N
Reference
Structure elucidation and biosynthesis of 31‐methylhopanoids from <i>Acetobacter europaeus</i>
PubChem CID: 139588630
LOTUS: LTS0118195
{NPAtlas: NPA019939
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Acetobacter | Acetobacteraceae | Rhodospirillales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 734.0720000000005
TPSA？: 176.86
MolLogP？: 4.416200000000009
Number of H-Donors: 8
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|