Vitas-M small molecule compound
(5xi,9xi,13xi,17xi,18xi)-19,28-epoxyoleanan-3-yl acetate
Catalog ID
STL540700
SMILES CC(=O)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC13C2C(OC1)C(C)(C)CC3)C)C
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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 C32H52O3 MW 484.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H52O3/c1-20(33)35-24-12-13-29(6)22(28(24,4)5)11-14-31(8)23(29)10-9-21-25-26-27(2,3)15-17-32(25,19-34-26)18-16-30(21,31)7/h21-26H,9-19H2,1-8H3/t21?,22?,23?,24?,25?,26?,29-,30+,31+,32?/m0/s1InChIKey
XFGCWXJSPYRAAG-CJKXVSAMSA-NSynonyms
((4~(R)5~(R)13~(R))4599132020heptamethyl24oxahexacyclo(17320^(118)0^(417)0^(514)0^(813))tetracosan10yl)acetate
(5xi9xi13xi17xi18xi)1928epoxyoleanan3ylacetate
(6aR6bR12aR)226a6b9912aheptamethylicosahydro1H14a(epoxymethano)picen10ylacetate
20975224
CC(=O)OC1CC(C@)2(C(C1(C)C)CC(C@@)1(C2CCC2(C@@)1(C)CCC13C2C(OC1)C(C)(C)CC3)C)C
InChI=1SC32H52O3c120(33)3524121329(6)22(28(244)5)111431(8)23(29)10921252627(23)151732(25193426)181630(2131)7h2126H919H218H3t21?22?23?24?25?26?2930+31+32?m0s1
MFCD01845144
ZINC000035494118
ZINC000253388549
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