(Q105243060)

English

(5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3,3-dimethoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene

chemical compound

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instance of

type of chemical entity

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subclass of

17-(5-Ethyl-6-methylheptan-2-yl)-3,3-dimethoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene

1 reference

based on heuristic

inferred from SMILES

mass

460.428031032 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₆O₂

0 references

canonical SMILES

O(C)C1(OC)CCC2(C)C(CCC3C4CCC(C(C)CCC(CC)C(C)C)C4(C)CCC32)C1

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isomeric SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(OC)(OC)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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found in taxon

Pinus wallichiana

1 reference

stated in

Palaeophytochemical Components from the Miocene-Fossil Wood ofPinus Griffithii

Identifiers

InChI

InChI=1S/C31H56O2/c1-9-23(21(2)3)11-10-22(4)26-14-15-27-25-13-12-24-20-31(32-7,33-8)19-18-29(24,5)28(25)16-17-30(26,27)6/h21-28H,9-20H2,1-8H3/t22-,23-,24+,25+,26-,27+,28+,29+,30-/m1/s1

0 references

InChIKey

RPVOJTLQNOOJBI-XFFKLACESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105243060)

(5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3,3-dimethoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene

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Identifiers

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