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(Q77512958)
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English
neohop-13(18)-ene
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
Neohop-12-ene
1 reference
based on heuristic
inferred from SMILES
3-isopropyl-3a,5a,5b,8,8,11a-hexamethyl-1H,2H,3H,4H,5H,6H,7H,7aH,9H,10H,11H,11bH,12H,13bH-cyclopenta[a]chrysene
1 reference
based on heuristic
inferred from SMILES
mass
410.3912516
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(17R)-17-Methyl-28-nor-5alpha-hopa-12-ene
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3R,3aS,5aS,5bR,7aS,11aS,11bR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysene
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₅₀
0 references
canonical SMILES
C1=C2C3CCC(C(C)C)C3(C)CCC2(C)C4(C)CCC5C(C)(C)CCCC5(C)C4C1
0 references
isomeric SMILES
CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C
0 references
found in taxon
Frankia
1 reference
stated in
Novel hopanoids from Frankia spp. and related soil bacteria. Squalene cyclization and significance of geological biomarkers revisited
Adiantum edgeworthii
1 reference
stated in
Fern Constituents: Triterpenoids Isolated from the Leaves of Adiantum edgeworthii. Structures of 19.ALPHA.-Hydroxyadiantone and Fern-9(11)-en-25-oic Acid.
Goniophlebium mengtzeense
1 reference
stated in
Triterpenoids from the fern Goniophlebium mengtzeense
Identifiers
InChI
InChI=1S/C30H50/c1-20(2)21-10-11-22-23-12-13-25-28(6)16-9-15-26(3,4)24(28)14-17-30(25,8)29(23,7)19-18-27(21,22)5/h12,20-22,24-25H,9-11,13-19H2,1-8H3/t21-,22+,24+,25-,27-,28+,29-,30-/m1/s1
0 references
InChIKey
CFSDWXPIIWGIDB-YWMQVRGDSA-N
2 references
stated in
PubChem
PubChem CID
13857695
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
13857695
language of work or name
English
PubChem CID
13857695
2 references
stated in
PubChem
PubChem CID
13857695
language of work or name
English
matched by identifier from
InChIKey
InChIKey
CFSDWXPIIWGIDB-YWMQVRGDSA-N
ChEBI ID
227078
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C30H50/c1-20(2)21-10-11-22-23-12-13-25-28(6)16-9-15-26(3,4)24(28)14-17-30(25,8)29(23,7)19-18-27(21,22)5/h12,20-22,24-25H,9-11,13-19H2,1-8H3/t21-,22+,24+,25-,27-,28+,29-,30-/m1/s1
UniChem compound ID
96691748
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA013065
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CFSDWXPIIWGIDB-YWMQVRGDSA-N
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