(Q105229600)

English

(11aS)-1,1-Dimethyl-6,7-dimethoxy-8-isopropyl-1,2,3,10,11,11aalpha-hexahydro-5H-dibenzo[a,d]cycloheptene

chemical compound

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instance of

type of chemical entity

0 references

subclass of

6-isopropyl-4,5-dimethoxy-12,12-dimethyltricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7-tetraene

1 reference

based on heuristic

inferred from SMILES

mass

328.240230264 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₂

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canonical SMILES

O(C1=C(OC)C2=C(C=C1C(C)C)CCC3C(=CCCC3(C)C)C2)C

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isomeric SMILES

COc1c(C(C)C)cc2c(c1OC)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/C22H32O2/c1-14(2)17-12-15-9-10-19-16(8-7-11-22(19,3)4)13-18(15)21(24-6)20(17)23-5/h8,12,14,19H,7,9-11,13H2,1-6H3/t19-/m1/s1

0 references

InChIKey

QXHAKXGZUGCVJD-LJQANCHMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QXHAKXGZUGCVJD-LJQANCHMSA-N

1 reference

(Q105229600)

(11aS)-1,1-Dimethyl-6,7-dimethoxy-8-isopropyl-1,2,3,10,11,11aalpha-hexahydro-5H-dibenzo[a,d]cycloheptene

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Identifiers

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