Concept information
Preferred term
(1S,4R,5S,8S,10R,13R,14R,17R) 17 [(2R,5R) 5,6 dimethylhept 3 en 2 yl] 5 methyl 19 oxapentacyclo[11.4.2.01،14.04،13.05,101، trimethylhept 3،10
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C28H44O4
inchi
- InChI=1S/C28H44O4/c1-18(2)19(3)6-7-20(4)22-8-9-23-25(22)12-15-28(31)24(5)11-10-21(29)16-26(24,30)13-14-27(23,28)32-17-25/h6-7,13-14,18-23,29-31H,8-12,15-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,25-,26-,27+,28+/m0/s1
inchikey
- HNJRIGGSDAVDIK-NGTPQGPGSA-N
mass
- 444.656
monoisotopicmass
- 444.32396
smiles
- O1[C@@]23C=C[C@]4(O)C[C@@H](O)CC[C@@]4([C@]2(O)CC[C@]5(C1)[C@@H]([C@@H](C=C[C@@H](C(C)C)C)C)CC[C@@H]35)C
subset
- 2_STAR
synonym EXACT
- (1S,4R,5S,8S,10R,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-methyl-19-oxapentacyclo[11.4.2.01,14.04,13.05,10]nonadec-11-ene-4,8,10-triol
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:222554
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