(Q105273023)

English

(2S,6R)-6-[(4S,5S,10S,12R,13R,14R,17R)-12-hydroxy-4,10,13-trimethyl-3,7,11-trioxo-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-methylergostane steroid

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mass

484.282489 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,6R)-6-[(4S,5S,10S,12R,13R,14R,17R)-12-hydroxy-4,10,13-trimethyl-3,7,11-trioxo-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₀O₆

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canonical SMILES

O=C(O)C(C(=C)CCC(C)C1CCC2C=3C(=O)CC4C(C(=O)CCC4(C3C(=O)C(O)C21C)C)C)C

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isomeric SMILES

C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)[C@H](O)[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O)[C@H](C)C(=O)O

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found in taxon

Taiwanofungus camphoratus

1 reference

stated in

Antcamphins A-L, ergostanoids from Antrodia camphorata

Identifiers

InChI

InChI=1S/C29H40O6/c1-14(16(3)27(34)35)7-8-15(2)18-9-10-19-23-22(31)13-20-17(4)21(30)11-12-28(20,5)24(23)25(32)26(33)29(18,19)6/h15-20,26,33H,1,7-13H2,2-6H3,(H,34,35)/t15-,16+,17+,18-,19+,20+,26+,28+,29-/m1/s1

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InChIKey

UHOSLQZZSSOKBP-FNOQRFBESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UHOSLQZZSSOKBP-FNOQRFBESA-N

1 reference

(Q105273023)

(2S,6R)-6-[(4S,5S,10S,12R,13R,14R,17R)-12-hydroxy-4,10,13-trimethyl-3,7,11-trioxo-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid

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Identifiers

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