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(Q77375412)
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Daldinialanone
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
1-(3-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,8H,9H,11H-cyclopenta[a]phenanthren-7-one
1 reference
based on heuristic
inferred from SMILES
mass
438.349780712
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(5S,10S,13R,14R,17R)-17-[(2S,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₄₆O₂
0 references
canonical SMILES
O=C1CCC2(C3=CCC4(C)C(CCC4(C3=CCC2C1(C)C)C)C(C)C(O)CC=C(C)C)C
0 references
isomeric SMILES
CC(C)=CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
0 references
found in taxon
Daldinia concentrica
1 reference
stated in
Chemical constituents of the ascomycete Daldinia concentrica
Daldinia
1 reference
stated in
Chemical constituents of the ascomycete Daldinia concentrica
Identifiers
InChI
InChI=1S/C30H46O2/c1-19(2)9-11-24(31)20(3)21-13-17-30(8)23-10-12-25-27(4,5)26(32)15-16-28(25,6)22(23)14-18-29(21,30)7/h9-10,14,20-21,24-25,31H,11-13,15-18H2,1-8H3/t20-,21+,24+,25-,28+,29+,30-/m0/s1
0 references
InChIKey
UHHCPWWWCZXVHN-OKDLRWSNSA-N
2 references
stated in
PubChem
PubChem CID
10884666
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
10884666
language of work or name
English
PubChem CID
10884666
2 references
stated in
PubChem
PubChem CID
10884666
language of work or name
English
matched by identifier from
InChIKey
InChIKey
UHHCPWWWCZXVHN-OKDLRWSNSA-N
ChEBI ID
203102
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C30H46O2/c1-19(2)9-11-24(31)20(3)21-13-17-30(8)23-10-12-25-27(4,5)26(32)15-16-28(25,6)22(23)14-18-29(21,30)7/h9-10,14,20-21,24-25,31H,11-13,15-18H2,1-8H3/t20-,21+,24+,25-,28+,29+,30-/m0/s1
UniChem compound ID
33753307
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA006002
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UHHCPWWWCZXVHN-OKDLRWSNSA-N
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