Vitas-M small molecule compound
(5xi,9xi,13xi,17xi,18xi)-lup-20(29)-en-3-yl acetate
Catalog ID
STL564796
SMILES CC(=O)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)C)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 C32H52O2 MW 468.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23?,24?,25?,26?,27?,29?,30-,31+,32+/m0/s1InChIKey
ODSSDTBFHAYYMD-BLZGCKPHSA-NSynonyms
((1R5aR5bR11aR)3a5a5b8811ahexamethyl1prop1en2yl12345677a9101111b121313a13bhexadecahydrocyclopenta(a)chrysen9yl)acetate
(1R3aR5aR5bR9R11aR13aR)3a5a5b8811ahexamethyl1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysen9ylacetate
(5xi9xi13xi17xi18xi)lup20(29)en3ylacetate
145705545
CC(=O)O(C@@H)1CC(C@)2(C(C1(C)C)CC(C@@)1(C2CC(C@H)2(C@@)1(C)CC(C@@)1(C2(C@@H)(CC1)C(=C)C)C)C)C
InChI=1SC32H52O2c120(2)22121529(6)181931(8)23(27(22)29)10112530(7)161426(3421(3)33)28(45)24(30)131732(2531)9h2227H11019H229H3t2223?24?25?26?27?29?3031+32+m0s1
ZINC000004097722
ZINC000253530627
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