Not named
AlkaPlorer ID: AK077532
Synonym: None
IUPAC Name: 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]-1-[5-amino-2,3,4-trihydroxy-2-(hydroxymethyl)cyclopentyl]oxyoctane-2,3,4,5-tetrol
Structure
SMILES: CC(CC(O)C(O)C(O)C(O)COC1C(N)C(O)C(O)C1(O)CO)[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
InChI: InChI=1S/C42H73NO9/c1-22(19-26(45)32(47)33(48)27(46)20-52-36-31(43)34(49)35(50)42(36,51)21-44)24-12-16-38(5)25(24)13-17-40(7)29(38)9-10-30-39(6)15-11-23(2)37(3,4)28(39)14-18-41(30,40)8/h9-10,22-36,44-51H,11-21,43H2,1-8H3/t22?,23-,24+,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,38-,39-,40+,41+,42?/m0/s1
InChIKey: XPQQFLOBGARKSQ-ZMCYARIZSA-N
Reference
Structure elucidation and biosynthesis of 31‐methylhopanoids from <i>Acetobacter europaeus</i>
PubChem CID: 139586696
LOTUS: LTS0151690
{NPAtlas: NPA012978
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Acetobacter | Acetobacteraceae | Rhodospirillales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 736.0439999999999
TPSA？: 197.09
MolLogP？: 3.141000000000004
Number of H-Donors: 9
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|