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[(2R,2'R,5'R,6'S,8a'S)-2',5',8a'-trimethyl-6'-[(phenylcarbonyl)oxy]-5-{2-[(phenylcarbonyl)oxy]ethyl}decahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-5,5'-diyl]dimethanediyl dibenzoate

Catalog ID
STL525737
SMILES O=C(c1ccccc1)OCC1(CCOC(=O)c2ccccc2)CC[C@@]2(O1)[C@H](C)CCC1[C@]2(C)CC[C@@H]([C@@]1(C)COC(=O)c1ccccc1)OC(=O)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 C48H52O9 MW 772.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H52O9/c1-34-24-25-39-45(2,32-54-42(50)36-18-10-5-11-19-36)40(56-44(52)38-22-14-7-15-23-38)26-27-46(39,3)48(34)29-28-47(57-48,33-55-43(51)37-20-12-6-13-21-37)30-31-53-41(49)35-16-8-4-9-17-35/h4-23,34,39-40H,24-33H2,1-3H3/t34-,39?,40+,45+,46+,47
InChIKey
OSJXTRFYPLXSCM-DFMLWGSZSA-N
Synonyms

((1R2R5S5R6S8aS)6(benzoyloxy)5(2(benzoyloxy)ethyl)258atrimethyldecahydro2H3Hspiro(furan21naphthalene)55diyl)bis(methylene)dibenzoate
((2R2R5R6S8aS)258atrimethyl6((phenylcarbonyl)oxy)5(2((phenylcarbonyl)oxy)ethyl)decahydro2H3Hspiro(furan21naphthalene)55diyl)dimethanediyldibenzoate
2((3~(S)4~(R)7~(R)8~(R)8~(a)~(S))3benzoyloxy24bis(benzoyloxymethyl)478~(a)trimethylspiro(234~(a)567hexahydro1~(H)naphthalene85oxolane)2yl)ethylbenzoate
44663049
InChI=1SC48H52O9c13424253945(2325442(50)3618105111936)40(5644(52)3822147152338)262746(393)48(34)292847(5748335543(51)3720126132137)30315341(49)35168491735h423343940H2433H213H3t3439?40+45+46+47?48m1s1
MFCD01082456
O=C(c1ccccc1)OC(C@@)1(CCOC(=O)c2ccccc2)CC(C@@)2(O1)(C@H)(C)CCC1(C@)2(C)CC(C@@H)((C@@)1(C)COC(=O)c1ccccc1)OC(=O)c1ccccc1
ZINC000085866685
ZINC000150502580

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Available files

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