(Q105248012)

English

methyl (2S,6R)-6-[(3R,4S,5S,10S,12S,13R,14R,17R)-3,12-dihydroxy-4,10,13-trimethyl-7-oxo-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl (6R)-6-[(3R,4S,5S,10S,12S,13R,14R,17R)-3,12-dihydroxy-4,10,13-trimethyl-7-oxo-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoate

1 reference

based on heuristic

inferred from SMILES

Methyl 6-(3,12-dihydroxy-4,10,13-trimethyl-7-oxo-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-3-methylideneheptanoate

1 reference

based on heuristic

inferred from SMILES

mass

486.334524572 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₅

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canonical SMILES

O=C1C2=C(CC(O)C3(C)C2CCC3C(C)CCC(=C)C(C(=O)OC)C)C4(C)CCC(O)C(C)C4C1

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isomeric SMILES

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

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found in taxon

Taiwanofungus camphoratus

1 reference

stated in

Biologically active constituents from the fruiting body of Taiwanofungus camphoratus

Identifiers

InChI

InChI=1S/C30H46O5/c1-16(18(3)28(34)35-7)8-9-17(2)20-10-11-21-27-23(15-26(33)30(20,21)6)29(5)13-12-24(31)19(4)22(29)14-25(27)32/h17-22,24,26,31,33H,1,8-15H2,2-7H3/t17-,18+,19+,20-,21+,22+,24-,26+,29+,30-/m1/s1

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InChIKey

RYROPCNVGGONIU-CUBDEJAJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RYROPCNVGGONIU-CUBDEJAJSA-N

(Q105248012)

methyl (2S,6R)-6-[(3R,4S,5S,10S,12S,13R,14R,17R)-3,12-dihydroxy-4,10,13-trimethyl-7-oxo-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoate

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