(Q105371260)

English

(2R,5S)-2-[(3R,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylhept-6-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-(3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-5,6-dimethylhept-6-enoic acid

1 reference

based on heuristic

inferred from SMILES

(2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylhept-6-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

528.381474764 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,5S)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylhept-6-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₅₂O₅

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canonical SMILES

O=C(OC1CCC2(C3=C(CCC2C1(C)C)C4(C)CC(O)C(C(C(=O)O)CCC(C(=C)C)C)C4(C)CC3)C)C

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isomeric SMILES

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

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found in taxon

Ganoderma tsugae

2 references

stated in

Steroids of formosan Ganoderma tsugae

stated in

New lanostanoids of Ganoderma tsugae

Identifiers

InChI

InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h20,22,25-28,35H,1,10-18H2,2-9H3,(H,36,37)/t20-,22+,25+,26-,27+,28-,31+,32+,33-/m0/s1

0 references

InChIKey

ZCMJUAGNOJTZBJ-KFUKHPFLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZCMJUAGNOJTZBJ-KFUKHPFLSA-N

(Q105371260)

(2R,5S)-2-[(3R,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylhept-6-enoic acid

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Identifiers

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