Vitas-M small molecule compound

propyl (5xi,9xi,14xi,17xi,18xi)-2,3-bis(acetyloxy)olean-12-en-28-oate

Catalog ID
STL565402
SMILES CCCOC(=O)C12CCC(CC2C2=CCC3[C@@](C2(CC1)C)(C)CCC1[C@]3(C)CC(C(C1(C)C)OC(=O)C)OC(=O)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 C37H58O6 MW 598.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H58O6/c1-11-20-41-31(40)37-18-16-32(4,5)21-26(37)25-12-13-29-34(8)22-27(42-23(2)38)30(43-24(3)39)33(6,7)28(34)14-15-36(29,10)35(25,9)17-19-37/h12,26-30H,11,13-22H2,1-10H3/t26?,27?,28?,29?,30?,34-,35?,36+,37?/m0/s1
InChIKey
UQTYFVNEWZQAOL-UGVMPGBLSA-N
Synonyms

(6aR14bR)446a6b111114bheptamethyl8a(propoxycarbonyl)12344a566a6b788a910111212a1414a14bicosahydropicene23diyldiacetate
44663196
CCCOC(=O)C12CCC(CC2C2=CCC3(C@@)(C2(CC1)C)(C)CCC1(C@)3(C)CC(C(C1(C)C)OC(=O)C)OC(=O)C)(C)C
InChI=1SC37H58O6c111204131(40)37181632(45)2126(37)2512132934(8)2227(4223(2)38)30(4324(3)39)33(67)28(34)141536(2910)35(259)171937h122630H111322H2110H3t26?27?28?29?30?3435?36+37?m0s1
propyl(5xi9xi14xi17xi18xi)23bis(acetyloxy)olean12en28oate
propyl(6bR12aR)1011diacetyloxy226a6b9912aheptamethyl134566a788a1011121314btetradecahydropicene4acarboxylate
ZINC000253389846
ZINC000253389849

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.