(Q76423847)

English

(1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

chemical compound

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instance of

type of chemical entity

0 references

subclass of

7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

316.203844756 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

15-Hydroxydehydro-ent-abietic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₃

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canonical SMILES

O=C(O)C1(C)CCCC2(C3=CC=C(C=C3CCC12)C(O)(C)C)C

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isomeric SMILES

C[C@]12CCC[C@@]([C@@H]1CCC3=C2C=CC(=C3)C(C)(C)O)(C)C(=O)O

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found in taxon

Podocarpus fasciculus

1 reference

stated in

Cytotoxic constituents from Podocarpus fasciculus

Abies pinsapo subsp. marocana

1 reference

stated in

Terpenoids of the wood of Abies marocana

Abies spectabilis

1 reference

stated in

Systematic phytochemical investigation of Abies spectabilis.

Anisochilus harmandii

1 reference

stated in

Bioactive diterpenes from the aerial parts of Anisochilus harmandii

Cedrus deodara

1 reference

stated in

Constituent of pollen. XIII Constituents of Cedrus deodara Loud. (2)

Dicranopteris linearis

1 reference

stated in

Terpenoids from TwoDicranopteris Species

Larix kaempferi

1 reference

stated in

Abietane diterpene acids and other constituents from the leaves of Larix kaempferi

Pinus armandii

1 reference

stated in

Serratene triterpenes from Pinus armandii bark

Pinus densiflora

1 reference

stated in

Labdane-type diterpenes active against acne from pine cones (Pinus densiflora).

Pinus massoniana

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stated in

Diterpenoids from Pinus massoniana resin and their cytotoxicity against A431 and A549 cells

Pinus sylvestris

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stated in

Abietic and dehydroabietic acid derivatives from needle-free shoots of shoots ofPinus sylvestris

Pinus yunnanensis

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stated in

Abietane Diterpenoids and a Lignan from Pinus yunnanensis

stated in

A novel phenolic compound from Pinus yunnanensis

Pteris linearis

1 reference

stated in

Terpenoids from TwoDicranopteris Species

Coleus harmandii

1 reference

stated in

Bioactive diterpenes from the aerial parts of Anisochilus harmandii

Identifiers

InChI

InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1

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InChIKey

ILQLITDRYFHAGM-NSISKUIASA-N

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CAS Registry Number

54113-95-0

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

0 references

1 reference

1 reference

matched by identifier from

InChIKey

ILQLITDRYFHAGM-NSISKUIASA-N

UNII

SJT5EC4FM4

1 reference

matched by identifier from

InChIKey

ILQLITDRYFHAGM-NSISKUIASA-N

(Q76423847)

(1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

Statements

Identifiers

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