Not named
AlkaPlorer ID: AK044792
Synonym: None
IUPAC Name: (1S,2S,3R,4R)-5-[(2S,3R,4R)-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,12,13,13a-hexadecahydrocyclopenta[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](O)[C@@H](O)[C@@H](O)COC1[C@H](N)[C@@H](O)[C@H](O)[C@@]1(O)CO)[C@H]1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)CC[C@H](C)C(C)(C)C3CC[C@]21C
InChI: InChI=1S/C43H77NO8/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/h23-37,45-51H,10-22,44H2,1-9H3/t23?,24?,25-,26+,27?,28-,29?,30?,31?,32+,33+,34-,35+,36-,37?,39-,40-,41+,42+,43-/m0/s1
InChIKey: SDAHDGKUKORJBT-ZIJIADJNSA-N
Reference
Structure elucidation and biosynthesis of 31‐methylhopanoids from <i>Acetobacter europaeus</i>
PubChem CID: 139583793
LOTUS: LTS0240940
{NPAtlas: NPA002512
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Acetobacter | Acetobacteraceae | Rhodospirillales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 736.0879999999997
TPSA？: 176.86
MolLogP？: 4.640200000000004
Number of H-Donors: 8
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|