(Q105382042)

English

[(11S)-5-acetyloxy-12,12-dimethyl-6-propan-2-yl-4-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraenyl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

5-(acetyloxy)-6-isopropyl-12,12-dimethyltricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7-tetraen-4-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

384.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₂O₄

0 references

canonical SMILES

O=C(OC1=C(OC(=O)C)C2=C(C=C1C(C)C)CCC3C(=CCCC3(C)C)C2)C

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isomeric SMILES

CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)CC1=CCCC(C)(C)[C@@H]1CC2

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found in taxon

Plectranthus barbatus

1 reference

stated in

Isolation, structure determination, and absolute configuration of barbatusol, a new bioactive diterpene with a rearranged abietane skeleton from the labiate coleus barbatus

Coleus barbatus

1 reference

stated in

Isolation, structure determination, and absolute configuration of barbatusol, a new bioactive diterpene with a rearranged abietane skeleton from the labiate coleus barbatus

Identifiers

InChI

InChI=1S/C24H32O4/c1-14(2)19-12-17-9-10-21-18(8-7-11-24(21,5)6)13-20(17)23(28-16(4)26)22(19)27-15(3)25/h8,12,14,21H,7,9-11,13H2,1-6H3/t21-/m1/s1

0 references

InChIKey

ZRKDARPAWIQXGK-OAQYLSRUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZRKDARPAWIQXGK-OAQYLSRUSA-N

(Q105382042)

[(11S)-5-acetyloxy-12,12-dimethyl-6-propan-2-yl-4-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraenyl] acetate

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Identifiers

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