Betamethasone 9,11-Epoxide 21-Propionate-D5

ISO 17034:
Catalog Number : CS-O-16094
CAS Number : 205105-83-5 (Unlabeled)
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Product Information

Product Name : "Betamethasone 9,11-Epoxide 21-Propionate-D5"
Category : Stable Isotopes

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Canonical SMILES : CCC(=O)OCC(=O)C1(C(CC2C1(CC3C4(C2CCC5=CC(=O)C=CC54C)O3)C)C)O
Isomeric SMILES : CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@H]3[C@@]4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)C)O
InChI : InChI=1S/C25H32O6/c1-5-21(28)30-13-19(27)24(29)14(2)10-18-17-7-6-15-11-16(26)8-9-22(15,3)25(17)20(31-25)12-23(18,24)4/h8-9,11,14,17-18,20,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,20-,22-,23-,24-,25+/m0/s1
InchIKey : VHNLZHWRYPLCSE-QYIVYLGBSA-N
IUPAC Name : [2-[(1S,2S,10S,11S,13S,14R,15S,17S)-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] propanoate
Exact Mass : 428.21988874
Description : Betamethasone 9,11-epoxide 21-propionate is an iridoid monoterpenoid.