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Vitas-M small molecule compound

(3beta)-3-hydroxylup-20(29)-en-28-oic acid

Catalog ID
STL570261
SMILES CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O

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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 C30H48O3 MW 456.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
InChIKey
QGJZLNKBHJESQX-FZFNOLFKSA-N
Synonyms
472-15-1
(1R3aS5aR5bR7aR9S11aR11bR13aR13bR)9hydroxy5a5b8811apentamethyl1prop1en2yl12345677a9101111b121313a13bhexadecahydrocyclopenta(a)chrysene3acarboxylicacid
(1R3aS5aR5bR9R11aR13aR)9hydroxy5a5b8811apentamethyl1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysene3acarboxylicacid
(3beta)3hydroxylup20(29)en28oicacid
3BETAHYDROXY20(29)LUPAENE28OICACID
3BETAHYDROXYLUP20(29)EN28OICACID
3HYDROXY(3BETA)LUP20(29)EN28OICACID
3HYDROXYLUP20(29)EN28OICACID
472151
64971
BETABETULINICACID
BETULICACID
BETULINICACID
BETULINICACID24
BETULINICACID98(HPLC)
BETULINICACIDANALYTICALSTANDARD
BETULINICACIDTECHNICALGRADE90
CC(=C)(C@@H)1CC(C@)2(C1(C@H)1CCC3(C@@)((C@)1(C)CC2)(C)CCC1(C@)3(C)CC(C@H)(C1(C)C)O)C(=O)O
InChI=1SC30H48O3c118(2)19101530(25(32)33)171628(6)20(24(19)30)892227(5)131223(31)26(34)21(27)111429(2228)7h192431H1817H227H3(H3233)t1920+2122+2324+2728+29+30m0s1
LUP20(29)EN28OICACID3BETAHYDROXY
LUP20(29)EN28OICACID3BETAHYDROXY(8CI)
LUP20(29)EN28OICACID3HYDROXY(3BETA)
LUP20(29)EN28OICACID3HYDROXY(3SS)
LUP20(29)EN28OICACID3HYDROXY3BETA
LUPATICACIDBETULICACID
MFCD00009619
ZINC000004097714

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Available files

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