(Q105238186)

English

(5S,7R,10S,13S,14S,17S)-7-hydroxy-17-[(2S,4R)-4-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-hydroxy-1-(4-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,4H,5H,5aH,8H,9H,10H,11H-cyclopenta[a]phenanthren-7-one

1 reference

based on heuristic

inferred from SMILES

mass

456.360345396 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₃

0 references

canonical SMILES

O=C1CCC2(C3=C(C(O)CC2C1(C)C)C4(C)CCC(C(C)CC(O)C=C(C)C)C4(C)CC3)C

0 references

isomeric SMILES

CC(C)=C[C@H](O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O

0 references

found in taxon

Dysoxylum macranthum

1 reference

stated in

Tirucallane triterpenes from Dysoxylum macranthum

Identifiers

InChI

InChI=1S/C30H48O3/c1-18(2)15-20(31)16-19(3)21-9-14-30(8)26-22(10-13-29(21,30)7)28(6)12-11-25(33)27(4,5)24(28)17-23(26)32/h15,19-21,23-24,31-32H,9-14,16-17H2,1-8H3/t19-,20-,21-,23+,24+,28+,29-,30+/m0/s1

0 references

InChIKey

RJXSMALGDPXUIM-HANYFITRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RJXSMALGDPXUIM-HANYFITRSA-N

(Q105238186)

(5S,7R,10S,13S,14S,17S)-7-hydroxy-17-[(2S,4R)-4-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

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Identifiers

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