(Q105382431)

English

(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-hexahydro-2H-naphtho[2,1-b]pyran-5-yl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-hexahydro-2H-naphtho[2,1-b]pyran-5-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

452.241018112 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₆O₈

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canonical SMILES

O=C(OC1C(OC(=O)C)C2(OC(C=C)(C)CC(=O)C2(O)C3(C)C(O)CCC(C)(C)C13)C)C

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isomeric SMILES

C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C

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found in taxon

Plectranthus ornatus

1 reference

stated in

Structural and spectral assignment of three forskolin-like diterpenoids isolated from Plectranthus ornatus.

Coleus comosus

1 reference

stated in

Structural and spectral assignment of three forskolin-like diterpenoids isolated from Plectranthus ornatus.

Identifiers

InChI

InChI=1S/C24H36O8/c1-9-21(6)12-16(28)24(29)22(7)15(27)10-11-20(4,5)18(22)17(30-13(2)25)19(31-14(3)26)23(24,8)32-21/h9,15,17-19,27,29H,1,10-12H2,2-8H3/t15-,17-,18-,19-,21-,22-,23+,24-/m0/s1

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InChIKey

ZSBZMJGJWOYRBW-JZLRHMRTSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

NMRShiftDB structure ID

20170818

1 reference

matched by identifier from

InChIKey

ZSBZMJGJWOYRBW-JZLRHMRTSA-N

(Q105382431)

(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-hexahydro-2H-naphtho[2,1-b]pyran-5-yl acetate

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Identifiers

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