(Q110193889)

English

(3S,7S,8S,9S,10R,13R,14S,17R)-7-ethoxy-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

stigmastan-type steroid

1 reference

based on heuristic

inferred from SMILES

mass

458.412380968 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₄O₂

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canonical SMILES

OC1CC2=CC(OCC)C3C(CCC4(C)C(CCC34)C(C)CCC(CC)C(C)C)C2(C)CC1

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isomeric SMILES

CCO[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CC[C@@H](CC)C(C)C)[C@H]12

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found in taxon

Tussilago farfara

1 reference

stated in

Sesquiterpenoids and other constituents from the flower buds of Tussilago farfara

Identifiers

InChI

InChI=1S/C31H54O2/c1-8-22(20(3)4)11-10-21(5)25-12-13-26-29-27(15-17-31(25,26)7)30(6)16-14-24(32)18-23(30)19-28(29)33-9-2/h19-22,24-29,32H,8-18H2,1-7H3/t21-,22-,24+,25-,26+,27+,28-,29+,30+,31-/m1/s1

0 references

InChIKey

XBQKHGCOJAYDPO-WQMGIENDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XBQKHGCOJAYDPO-WQMGIENDSA-N

(Q110193889)

(3S,7S,8S,9S,10R,13R,14S,17R)-7-ethoxy-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Statements

Identifiers

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