Vitas-M small molecule compound
(5'R,10'R,13'S,17'S)-13'-methyl-17'-(prop-1-yn-1-yl)-1',2',7',8',12',13',14',15',16',17'-decahydro-6'H-spiro[1,3-dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-ol
Catalog ID
STL525708
SMILES CC#C[C@]1(O)CCC2[C@]1(C)CC=C1C2CC[C@@]23[C@]1(CCC1(C3)OCCO1)O2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H30O4 MW 370.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30O4/c1-3-7-20(24)9-6-17-16-4-10-21-15-22(25-13-14-26-22)11-12-23(21,27-21)18(16)5-8-19(17,20)2/h5,16-17,24H,4,6,8-15H2,1-2H3/t16?,17?,19-,20-,21+,23+/m0/s1InChIKey
NRUIWWWJNIPUBD-BSINFRHFSA-NSynonyms
(1~(R)5~(S)6~(S)13~(R))5methyl6prop1ynylspiro(13dioxolane21518oxapentacyclo(11410^(113)0^(210)0^(59))octadec2ene)6ol
(5R10R13S17S)13methyl17(prop1yn1yl)1278121314151617decahydro6Hspiro(13dioxolane23(510)epoxycyclopenta(a)phenanthren)17ol
(5R8S10R13S17S)13methyl17(prop1yn1yl)124678121314151617dodecahydrospiro(510epoxycyclopenta(a)phenanthrene32(13)dioxolan)17ol
58743812
CC#C(C@)1(O)CCC2(C@)1(C)CC=C1(C@H)2CC(C@@)23(C@)1(CCC1(C3)OCCO1)O2
InChI=1SC23H30O4c13720(24)961716410211522(2513142622)111223(212721)18(16)5819(1720)2h5161724H46815H212H3t16?17?192021+23+m0s1
MFCD01544298
ZINC000004073589
ZINC000005283256
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