(Q105170926)

English

methyl (1R,4aS,9R,10aR)-9-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

abietane diterpenoid

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mass

346.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₄

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canonical SMILES

O=C(OC)C1(C)CCCC2(C3=CC=C(C=C3C(O)CC12)C(O)(C)C)C

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isomeric SMILES

COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3[C@H](O)C[C@H]21

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found in taxon

Pinus yunnanensis

1 reference

stated in

A novel phenolic compound from Pinus yunnanensis

Identifiers

InChI

InChI=1S/C21H30O4/c1-19(2,24)13-7-8-15-14(11-13)16(22)12-17-20(15,3)9-6-10-21(17,4)18(23)25-5/h7-8,11,16-17,22,24H,6,9-10,12H2,1-5H3/t16-,17-,20-,21-/m1/s1

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InChIKey

MRTXWRPVFGYIEY-DEPWHIHDSA-N

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CAS Registry Number

155205-65-5

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

26 December 2021

matched by identifier from

InChIKey

MRTXWRPVFGYIEY-DEPWHIHDSA-N

1 reference

1 reference

matched by identifier from

InChIKey

MRTXWRPVFGYIEY-DEPWHIHDSA-N

(Q105170926)

methyl (1R,4aS,9R,10aR)-9-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

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Identifiers

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