(Q115971933)

English

(3S,5R,10S,13R,14R,15S,17S)-17-[(1R)-1-hydroxy-5-methyl-4-methylidenehexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,15-diol

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

458.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₃

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canonical SMILES

OC(CCC(=C)C(C)C)C1CC(O)C2(C3=C(CCC12C)C4(C)CCC(O)C(C)(C)C4CC3)C

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isomeric SMILES

C=C(CC[C@@H](O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C

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found in taxon

Taiwanofungus camphoratus

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stated in

Antcamphins A-L, ergostanoids from Antrodia camphorata

Identifiers

InChI

InChI=1S/C30H50O3/c1-18(2)19(3)9-11-23(31)22-17-26(33)30(8)21-10-12-24-27(4,5)25(32)14-15-28(24,6)20(21)13-16-29(22,30)7/h18,22-26,31-33H,3,9-17H2,1-2,4-8H3/t22-,23-,24+,25+,26+,28-,29-,30-/m1/s1

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InChIKey

KTSAHDYIMZIBQK-AMEQCIJUSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

KTSAHDYIMZIBQK-AMEQCIJUSA-N

1 reference

(Q115971933)

(3S,5R,10S,13R,14R,15S,17S)-17-[(1R)-1-hydroxy-5-methyl-4-methylidenehexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,15-diol

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