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Astraodoric Acids C
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
5-hydroxy-6-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
472.355260016
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Astraeusin O
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₃₀H₄₈O₄
0 references
canonical SMILES
O=C(O)C(=CCC(O)C(C)C1CCC2(C3=C(CCC12C)C4(C)CCC(O)C(C)(C)C4CC3)C)C
0 references
isomeric SMILES
C/C(=C\C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(=O)O
0 references
found in taxon
Astraeus odoratus
1 reference
stated in
Astraodoric acids A-D: new lanostane triterpenes from edible mushroom Astraeus odoratus and their anti-Mycobacterium tuberculosis H37Ra and cytotoxic activity
Identifiers
InChI
InChI=1S/C30H48O4/c1-18(26(33)34)8-10-23(31)19(2)20-12-16-30(7)22-9-11-24-27(3,4)25(32)14-15-28(24,5)21(22)13-17-29(20,30)6/h8,19-20,23-25,31-32H,9-17H2,1-7H3,(H,33,34)/b18-8+/t19-,20+,23+,24?,25-,28+,29+,30-/m0/s1
0 references
InChIKey
ZOAZKOJQEVTDKV-ITJZHYOKSA-N
2 references
stated in
PubChem
PubChem CID
139587350
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139587350
language of work or name
English
PubChem CID
139587350
2 references
stated in
PubChem
PubChem CID
139587350
language of work or name
English
matched by identifier from
InChIKey
InChIKey
ZOAZKOJQEVTDKV-ITJZHYOKSA-N
ChEBI ID
216270
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C30H48O4/c1-18(26(33)34)8-10-23(31)19(2)20-12-16-30(7)22-9-11-24-27(3,4)25(32)14-15-28(24,5)21(22)13-17-29(20,30)6/h8,19-20,23-25,31-32H,9-17H2,1-7H3,(H,33,34)/b18-8+/t19-,20+,23+,24?,25-,28+,29+,30-/m0/s1
UniChem compound ID
170910495
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA015269
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZOAZKOJQEVTDKV-ITJZHYOKSA-N
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