Not named
AlkaPlorer ID: AK040360
Synonym: None
IUPAC Name: 5-[7-[(3R,5aR,5bR,9S,11aS,13bS)-5a,5b,8,8,9,10,11a,13b-octamethyl-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)[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/C44H77NO8/c1-23(19-24(2)34(48)35(49)29(47)21-53-38-33(45)36(50)37(51)44(38,52)22-46)27-13-16-40(7)28(27)14-17-42(9)31(40)11-12-32-41(8)20-25(3)26(4)39(5,6)30(41)15-18-43(32,42)10/h11-12,23-38,46-52H,13-22,45H2,1-10H3/t23?,24?,25?,26-,27+,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,40-,41-,42+,43+,44?/m0/s1
InChIKey: ICVMHEYNHYJMDK-FYXVWVBMSA-N
Reference
Structure elucidation and biosynthesis of 31‐methylhopanoids from <i>Acetobacter europaeus</i>
PubChem CID: 139583669
LOTUS: LTS0096710
{NPAtlas: NPA002057
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Acetobacter | Acetobacteraceae | Rhodospirillales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 748.0990000000005
TPSA？: 176.86
MolLogP？: 4.662200000000009
Number of H-Donors: 8
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|