(Q104975377)

English

(5S,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S,4S,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

chemical compound

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instance of

type of chemical entity

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subclass of

4,4,10,13,14-Pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

1 reference

1 reference

474.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(23R,24R)-23,24,25-Trihydroxy-5alpha-tirucall-7-en-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S,4S,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,3aS,5aR,9aR,9bR,11aS)-3a,6,6,9a,11a-pentamethyl-1-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,5H,5aH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one

1 reference

based on heuristic

inferred from InChI

(5S,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₄

0 references

canonical SMILES

O=C1CCC2(C)C3C(=CCC2C1(C)C)C4(C)CCC(C(C)CC(O)C(O)C(O)(C)C)C4(C)CC3

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isomeric SMILES

C[C@@H](C[C@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C

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found in taxon

Turraea nilotica

1 reference

stated in

Protolimonoids from Turraea nilotica

Identifiers

InChI

InChI=1S/C30H50O4/c1-18(17-22(31)25(33)27(4,5)34)19-11-15-30(8)21-9-10-23-26(2,3)24(32)13-14-28(23,6)20(21)12-16-29(19,30)7/h9,18-20,22-23,25,31,33-34H,10-17H2,1-8H3/t18-,19-,20-,22-,23+,25-,28+,29-,30+/m0/s1

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InChIKey

DCGUKHULKAAOPB-PUBMZQOYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104975377)

(5S,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S,4S,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

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