Vitas-M small molecule compound
(3beta,5xi,9xi,13xi,18xi,20R)-20,29-epoxylupane-3,28-diol
Catalog ID
STL299825
SMILES OC[C@@]12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CC[C@@H](C3(C)C)O)[C@]1(C)CO1
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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 C30H50O3 MW 458.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H50O3/c1-25(2)21-10-13-28(5)22(26(21,3)12-11-23(25)32)8-7-19-24-20(29(6)18-33-29)9-14-30(24,17-31)16-15-27(19,28)4/h19-24,31-32H,7-18H2,1-6H3/t19?,20-,21?,22?,23+,24?,26+,27-,28-,29+,30-/m1/s1InChIKey
KXGFUIREGRQGHZ-FSRJAHSISA-NSynonyms
(1R3aS5aR5bR9S11aR)3a(hydroxymethyl)5a5b8811apentamethyl1((2R)2methyloxiran2yl)12345677a9101111b121313a13bhexadecahydrocyclopenta(a)chrysen9ol
(3beta5xi9xi13xi18xi20R)2029epoxylupane328diol
CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC5(C4C(CC5)C6(CO6)C)CO)C)C)C
InChI=1SC30H50O3c125(2)21101328(5)22(26(213)121123(25)32)87192420(29(6)183329)91430(241731)161527(1928)4h19243132H718H216H3t19?2021?22?23+24?26+272829+30m1s1
OC(C@@)12CC(C@H)(C2C2(C@)(CC1)(C)(C@)1(C)CCC3(C@)(C1CC2)(C)CC(C@@H)(C3(C)C)O)(C@)1(C)CO1
ZINC000253527856
ZINC000253527859
Check stock
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Check stock on Vitas-MAvailable files
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