(Q104946048)

English

4-Methyl (4R,4aS,6aS,7R,11aS,11bS)-2,3,4,4a,5,6,6a,7,11,11a-decahydro-4,7-dimethylphenanthro[3,2-b]furan-4,11b(1H)-dicarboxylate

chemical compound

In more languages

Statements

type of chemical entity

0 references

(4S,6aS,7R,11bS)-4-(methoxycarbonyl)-4,7-dimethyl-1H,2H,3H,4aH,5H,6H,6aH,7H,11H,11aH-phenanthro[3,2-b]furan-11b-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

4-Methoxycarbonyl-4,7-dimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-11b-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

360.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4S,4aS,6aS,7R,11aS,11bS)-4-methoxycarbonyl-4,7-dimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-11b-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₅

0 references

canonical SMILES

O=C(O)C12CCCC(C(=O)OC)(C)C2CCC3C(C=4C=COC4CC31)C

0 references

isomeric SMILES

COC(=O)[C@]1(C)CCC[C@]2(C(=O)O)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@H]21

0 references

Biancaea decapetala

1 reference

Caesaljapin, a cassane diterpenoid from Caesalpinia decapetala var. Japonica

Identifiers

InChI=1S/C21H28O5/c1-12-13-5-6-17-20(2,19(24)25-3)8-4-9-21(17,18(22)23)15(13)11-16-14(12)7-10-26-16/h7,10,12-13,15,17H,4-6,8-9,11H2,1-3H3,(H,22,23)/t12-,13+,15+,17+,20-,21+/m1/s1

0 references

BUDZNKDGXHMPRO-GQEGZNIISA-N

0 references

CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID401102978

1 reference

matched by identifier from

BUDZNKDGXHMPRO-GQEGZNIISA-N

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