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Calamendiol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(1R,4S,4aR)-4-isopropyl-1-methyl-6-methylidene-hexahydro-2H-naphthalene-1,4a-diol
1 reference
based on heuristic
inferred from SMILES
1-Methyl-6-methylidene-4-(propan-2-yl)-decahydronaphthalene-1,4a-diol
1 reference
based on heuristic
inferred from SMILES
mass
238.193280072
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
isocalamendiol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₆O₂
0 references
canonical SMILES
OC1(C)CCC(C(C)C)C2(O)CC(=C)CCC12
0 references
isomeric SMILES
CC(C)[C@@H]1CC[C@]([C@H]2[C@]1(CC(=C)CC2)O)(C)O
0 references
found in taxon
Acorus calamus
2 references
stated in
Sesquiterpenes from Acorus calamus L.
stated in
Two new sesquiterpenes from Acorus calamus
Acorus calamus var. americanus
1 reference
stated in
[Studies on the constituents of the roots of Acorus calamus L]
Wild Carrot
1 reference
stated in
(E)-Methylisoeugenol and elemicin: antibacterial components of Daucus carota L. essential oil against Campylobacter jejuni
Identifiers
InChI
InChI=1S/C15H26O2/c1-10(2)12-7-8-14(4,16)13-6-5-11(3)9-15(12,13)17/h10,12-13,16-17H,3,5-9H2,1-2,4H3/t12-,13-,14-,15+/m0/s1
0 references
InChIKey
AHNGXHRYFGQWSL-ZQDZILKHSA-N
0 references
CAS Registry Number
30167-28-3
1 reference
InChIKey
AHNGXHRYFGQWSL-ZQDZILKHSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=30167-28-3
PubChem CID
181982
1 reference
matched by identifier from
InChIKey
InChIKey
AHNGXHRYFGQWSL-ZQDZILKHSA-N
ChEBI ID
191443
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H26O2/c1-10(2)12-7-8-14(4,16)13-6-5-11(3)9-15(12,13)17/h10,12-13,16-17H,3,5-9H2,1-2,4H3/t12-,13-,14-,15+/m0/s1
UniChem compound ID
42493951
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70952567
1 reference
matched by identifier from
InChIKey
InChIKey
AHNGXHRYFGQWSL-ZQDZILKHSA-N
DSSTOX compound identifier
DTXCID501380652
0 references
KNApSAcK ID
C00061348
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AHNGXHRYFGQWSL-ZQDZILKHSA-N
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