(Q105172344)

English

[(1R,2E,4aR,4bS,8aS,10aS)-1-[2-(furan-3-yl)ethyl]-4b,8,8,10a-tetramethyl-decahydrophenanthren-2-ylidene]methoxysulfonic acid; dimethylguanidine

chemical compound

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Statements

type of chemical entity

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[(2E,4bS)-1-[2-(furan-3-yl)ethyl]-4b,8,8,10a-tetramethyl-decahydrophenanthren-2-ylidene]methoxysulfonic acid; dimethylguanidine

1 reference

based on heuristic

inferred from SMILES

537.3236426039999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₄₇N₃O₅S

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canonical SMILES

O=S(=O)(O)OC=C1CCC2C(C)(CCC3C(C)(C)CCCC32C)C1CCC4=COC=C4.N=C(N)N(C)C

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isomeric SMILES

CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCc3ccoc3)/C(=C/OS(=O)(=O)O)CC[C@H]21.CN(C)C(=N)N

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Identifiers

InChI=1S/C25H38O5S.C3H9N3/c1-23(2)12-5-13-25(4)21(23)10-14-24(3)20(8-6-18-11-15-29-16-18)19(7-9-22(24)25)17-30-31(26,27)28;1-6(2)3(4)5/h11,15-17,20-22H,5-10,12-14H2,1-4H3,(H,26,27,28);1-2H3,(H3,4,5)/b19-17+;/t20-,21-,22-,24+,25-;/m0./s1

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MUGYGAQKMRBEQJ-VNINRLMRSA-N

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CAS Registry Number

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CAS (formerly Chemical Abstracts Service)

25 January 2022

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matched by identifier from

MUGYGAQKMRBEQJ-VNINRLMRSA-N

1 reference

matched by identifier from

MUGYGAQKMRBEQJ-VNINRLMRSA-N

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