(Q105030989)

English

(5S,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

11-Hydroxy-4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

(8S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

mass

490.3658247 dalton

1 reference

2 references

inferred from InChIKey

1 reference

C₃₀H₅₀O₅

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canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2C(O)CC4=C(CCC43C)C(C)CC(O)C(O)C(O)(C)C)C1(C)C

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isomeric SMILES

C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1

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found in taxon

Alisma plantago-aquatica

1 reference

stated in

Terpenoids of Alisma orientale rhizome and the crude drug alismatis rhizoma

Identifiers

InChI

InChI=1S/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3/t17-,20+,21+,22-,24+,25-,28+,29+,30+/m1/s1

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InChIKey

HNOSJVWYGXOFRP-XCCZAVEJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HNOSJVWYGXOFRP-XCCZAVEJSA-N

1 reference

(Q105030989)

(5S,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

Statements

Identifiers

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