(Q105327534)

English

(3S,5R,9S,10R,13S,14S,17S)-17-[(2S,4R)-4-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,5R,9R,10R,13S,14S,17S)-17-[(2S,4R)-4-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₂

0 references

canonical SMILES

OC(C=C(C)C)CC(C)C1CCC2(C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C

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isomeric SMILES

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

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found in taxon

Dysoxylum mollissimum

1 reference

stated in

Tirucallane triterpenoids from Dysoxylum hainanense

Dysoxylum variabile

1 reference

stated in

New tirucallane-type triterpenes from Dysoxylum variabile

Paramignya monophylla

1 reference

stated in

Tirucallane derivatives from Paramignya monophylla fruits

Identifiers

InChI

InChI=1S/C30H50O2/c1-19(2)17-21(31)18-20(3)22-11-15-30(8)24-9-10-25-27(4,5)26(32)13-14-28(25,6)23(24)12-16-29(22,30)7/h9,17,20-23,25-26,31-32H,10-16,18H2,1-8H3/t20-,21-,22-,23+,25-,26-,28+,29-,30+/m0/s1

0 references

InChIKey

XGDYZWWBMOUVPO-OBUYPBOPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XGDYZWWBMOUVPO-OBUYPBOPSA-N

(Q105327534)

(3S,5R,9S,10R,13S,14S,17S)-17-[(2S,4R)-4-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

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Identifiers

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