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(Q76414921)
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English
20S-Hydroxy-5-alpha-cholestane-3,16-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
17-(2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
1 reference
based on heuristic
inferred from SMILES
mass
416.329045268
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₄O₃
0 references
canonical SMILES
O=C1CCC2(C)C(C1)CCC3C4CC(=O)C(C(O)(C)CCCC(C)C)C4(C)CCC32
0 references
isomeric SMILES
CC(C)CCC[C@@](C)([C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)O
0 references
found in taxon
Leptogorgia sarmentosa
1 reference
stated in
Isolation and structure elucidation of new cytotoxic steroids from the gorgonian Leptogorgia sarmentosa
Identifiers
InChI
InChI=1S/C27H44O3/c1-17(2)7-6-12-27(5,30)24-23(29)16-22-20-9-8-18-15-19(28)10-13-25(18,3)21(20)11-14-26(22,24)4/h17-18,20-22,24,30H,6-16H2,1-5H3/t18-,20+,21-,22-,24-,25-,26-,27-/m0/s1
0 references
InChIKey
RJXRRUHNMZQRFL-LVXDJYSUSA-N
0 references
PubChem CID
9979325
1 reference
matched by identifier from
InChIKey
InChIKey
RJXRRUHNMZQRFL-LVXDJYSUSA-N
ChEBI ID
172977
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C27H44O3/c1-17(2)7-6-12-27(5,30)24-23(29)16-22-20-9-8-18-15-19(28)10-13-25(18,3)21(20)11-14-26(22,24)4/h17-18,20-22,24,30H,6-16H2,1-5H3/t18-,20+,21-,22-,24-,25-,26-,27-/m0/s1
UniChem compound ID
33003809
1 reference
stated in
UniChem
LIPID MAPS ID
LMST01010307
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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