Vitas-M small molecule compound
(5xi,9xi,13xi,17xi,18xi)-19,28-epoxyoleanan-3-yl (2E)-3-phenylprop-2-enoate
Catalog ID
STL527117
SMILES O=C(OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC13C2C(OC1)C(C)(C)CC3)C)C)/C=C/c1ccccc1
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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 C39H56O3 MW 572.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H56O3/c1-34(2)21-23-39-24-22-37(6)27(32(39)33(34)41-25-39)14-15-29-36(5)19-18-30(35(3,4)28(36)17-20-38(29,37)7)42-31(40)16-13-26-11-9-8-10-12-26/h8-13,16,27-30,32-33H,14-15,17-25H2,1-7H3/b16-13+/t27?,28?,29?,30?,32?,33?,36-,37+,38+,39?/m0/s1InChIKey
HCPKDTDRKGFKRC-NLBPIKAZSA-NSynonyms
((4~(R)5~(R)13~(R))4599132020heptamethyl24oxahexacyclo(17320^(118)0^(417)0^(514)0^(813))tetracosan10yl)(~(E))3phenylprop2enoate
(5xi9xi13xi17xi18xi)1928epoxyoleanan3yl(2E)3phenylprop2enoate
135639229
InChI=1SC39H56O3c134(2)212339242237(6)27(32(39)33(34)412539)14152936(5)191830(35(34)28(36)172038(2937)7)4231(40)1613261198101226h8131627303233H14151725H217H3b1613+t27?28?29?30?32?33?3637+38+39?m0s1
MFCD03267388
ZINC001772492244
ZINC001772492247
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