(Q105119767)

English

[(2S,4aS,4bR,7S,8S,8aR,10aR)-5'-acetyloxy-1,1,4a,7,7',8a-hexamethylspiro[2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-8,2'-3H-1-benzofuran]-2-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(5'-acetyloxy-1,1,4a,7,7',8a-hexamethylspiro[2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-8,2'-3H-1-benzofuran]-2-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

496.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,4aR,4bR,7S,8S,8aS,10aR)-5'-acetyloxy-1,1,4a,7,7',8a-hexamethylspiro[2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-8,2'-3H-1-benzofuran]-2-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₄O₅

0 references

canonical SMILES

O=C(OC=1C=C(C=2OC3(CC2C1)C(C)CCC4C5(C)CCC(OC(=O)C)C(C)(C)C5CCC43C)C)C

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isomeric SMILES

CC(=O)Oc1cc(C)c2c(c1)C[C@]1(O2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]21C

0 references

found in taxon

Stypopodium flabelliforme

2 references

stated in

An unusual halogenated meroditerpenoid from Stypopodium flabelliforme: studies by NMR spectroscopic and computational methods

stated in

An unusual halogenated meroditerpenoid from Stypopodium flabelliforme: studies by NMR spectroscopic and computational methods

Identifiers

InChI

InChI=1S/C31H44O5/c1-18-15-23(34-20(3)32)16-22-17-31(36-27(18)22)19(2)9-10-25-29(7)13-12-26(35-21(4)33)28(5,6)24(29)11-14-30(25,31)8/h15-16,19,24-26H,9-14,17H2,1-8H3/t19-,24-,25+,26-,29-,30+,31-/m0/s1

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InChIKey

ISRQFIPAMDLIMC-OWWLIROXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ISRQFIPAMDLIMC-OWWLIROXSA-N

(Q105119767)

[(2S,4aS,4bR,7S,8S,8aR,10aR)-5'-acetyloxy-1,1,4a,7,7',8a-hexamethylspiro[2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-8,2'-3H-1-benzofuran]-2-yl] acetate

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