(Q104944882)

English

[(1S,3R,4aS,6S,6aS,7R,8S,10aS,10bS)-1-acetyloxy-7,8-dihydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl] benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

(1-Acetyloxy-7,8-dihydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl) benzoate

1 reference

based on heuristic

inferred from SMILES

mass

530.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,3S,4aS,6S,6aS,7R,8R,10aS,10bS)-1-acetyloxy-7,8-dihydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl] benzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,3R,4aS,6S,6aS,7R,8R,10aS,10bS)-1-acetyloxy-7,8-dihydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl] benzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₈O₉

0 references

canonical SMILES

O=C(OC1CC2(OC3(COC(=O)C3)CC(OC(=O)C)C2(C)C4CCC(O)C(O)(C)C14C)C)C=5C=CC=CC5

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isomeric SMILES

CC(=O)O[C@H]1C[C@@]2(COC(=O)C2)O[C@@]2(C)C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@H](CC[C@H](O)[C@]3(C)O)[C@@]12C

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found in taxon

Scutellaria rivularis

1 reference

stated in

Scutellone C and F, Two New Neoclerodane Type Diterpenoids from Scutellaria rivularis

Scutellaria barbata

1 reference

stated in

Scutellone C and F, Two New Neoclerodane Type Diterpenoids from Scutellaria rivularis

Identifiers

InChI

InChI=1S/C29H38O9/c1-17(30)36-22-14-29(15-23(32)35-16-29)38-25(2)13-21(37-24(33)18-9-7-6-8-10-18)27(4)19(26(22,25)3)11-12-20(31)28(27,5)34/h6-10,19-22,31,34H,11-16H2,1-5H3/t19-,20+,21+,22+,25+,26+,27+,28+,29-/m1/s1

0 references

InChIKey

BRKXSFGVJFNJSV-DROZPZMISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BRKXSFGVJFNJSV-DROZPZMISA-N

(Q104944882)

[(1S,3R,4aS,6S,6aS,7R,8S,10aS,10bS)-1-acetyloxy-7,8-dihydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl] benzoate

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Identifiers

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