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Petrovin B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(3-hydroxyprop-1-en-2-yl)-4a-methyl-8-methylidene-hexahydro-1H-naphthalen-2-ol
1 reference
based on heuristic
inferred from SMILES
mass
236.177630008
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₄O₂
0 references
canonical SMILES
OCC(=C)C1(O)CCC2(C)CCCC(=C)C2C1
0 references
isomeric SMILES
C=C1CCC[C@]2(C)CC[C@@](O)(C(=C)CO)C[C@@H]12
0 references
found in taxon
Saussurea petrovii
1 reference
stated in
Two new sesquiterpenes from the Chinese herb <I>Saussurea petrovii</I> and their antibacterial and antitumor activity
Identifiers
InChI
InChI=1S/C15H24O2/c1-11-5-4-6-14(3)7-8-15(17,9-13(11)14)12(2)10-16/h13,16-17H,1-2,4-10H2,3H3/t13-,14+,15-/m0/s1
0 references
InChIKey
SDWGOFYIBUYAQT-ZNMIVQPWSA-N
0 references
CAS Registry Number
86703-05-1
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
10704987
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
33886834
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID601131412
1 reference
matched by identifier from
InChIKey
InChIKey
SDWGOFYIBUYAQT-ZNMIVQPWSA-N
UNII
GY36FVC24F
1 reference
matched by identifier from
InChIKey
InChIKey
SDWGOFYIBUYAQT-ZNMIVQPWSA-N
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