Vitas-M small molecule compound
(5xi,9xi,13xi,17xi,18xi)-28-oxolup-20(29)-en-3-yl acetate
Catalog ID
STL564830
SMILES O=CC12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)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 C32H50O3 MW 482.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H50O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h19,22-27H,1,9-18H2,2-8H3/t22-,23?,24?,25?,26?,27?,29-,30+,31+,32?/m0/s1InChIKey
VATQYYFSJMNJAL-IGHYOZEESA-NSynonyms
((1R5aR5bR11aR)3aformyl5a5b8811apentamethyl1prop1en2yl12345677a9101111b121313a13bhexadecahydrocyclopenta(a)chrysen9yl)acetate
(1R3aS5aR5bR9R11aR13aR)3aformyl5a5b8811apentamethyl1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysen9ylacetate
(5xi9xi13xi17xi18xi)28oxolup20(29)en3ylacetate
145705549
InChI=1SC32H50O3c120(2)22111632(1933)181730(7)23(27(22)32)9102529(6)141326(3521(3)34)28(45)24(29)121531(2530)8h192227H1918H228H3t2223?24?25?26?27?2930+31+32?m0s1
O=C(C@@)12CC(C@H)(C2(C@@H)2(C@)(CC1)(C)(C@)1(C)CCC3(C@)(C1CC2)(C)CC(C@H)(C3(C)C)OC(=O)C)C(=C)C
ZINC000034248639
ZINC001848443807
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