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(3beta,5beta,8xi,9xi,19E)-19-(2-carbamothioylhydrazinylidene)-3,5,14-trihydroxycard-20(22)-enolide

Catalog ID
STL548947
SMILES O[C@H]1CC[C@]2([C@](C1)(O)CCC1C2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)/C=N/NC(=S)N

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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 C24H35N3O5S MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H35N3O5S/c1-21-6-3-17-18(24(21,31)9-5-16(21)14-10-19(29)32-12-14)4-8-23(30)11-15(28)2-7-22(17,23)13-26-27-20(25)33/h10,13,15-18,28,30-31H,2-9,11-12H2,1H3,(H3,25,27,33)/b26-13+/t15-,16+,17?,18?,21+,22-,23-,24-/m0/s1
InChIKey
GCCGBFMXLFQGFE-IYBPKSNHSA-N
Synonyms

((~(E))((3~(S)5~(S)10~(R)13~(R)14~(S)17~(R))3514trihydroxy13methyl17(5oxo2~(H)furan3yl)23467891112151617dodecahydro1~(H)cyclopenta(a)phenanthren10yl)methylideneamino)thiourea
(3beta5beta8xi9xi19E)19(2carbamothioylhydrazinylidene)3514trihydroxycard20(22)enolide
(E)2(((3S5S8R9S10R13R14S17R)3514trihydroxy13methyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthren10yl)methylene)hydrazinecarbothioamide
135639800
InChI=1SC24H35N3O5Sc121631718(24(2131)9516(21)141019(29)321214)4823(30)1115(28)2722(1723)13262720(25)33h10131518283031H291112H21H3(H3252733)b2613+t1516+17?18?21+222324m0s1
MFCD01881414
O(C@H)1CC(C@)2((C@)(C1)(O)CC(C@@H)1(C@@H)2CC(C@)2((C@)1(O)CC(C@@H)2C1=CC(=O)OC1)C)C=NNC(=S)N
ZINC000012656103
ZINC001772492829

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Available files

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