(Q105349306)

English

(1S,2R,5R,7R,9S,10S,11S,16S)-5-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-9-hydroxy-1,2,11,15,15-pentamethyl-6-oxapentacyclo[8.8.0.02,7.05,7.011,16]octadecan-14-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-[4-(3,3-Dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-9-hydroxy-1,2,11,15,15-pentamethyl-6-oxapentacyclo[8.8.0.02,7.05,7.011,16]octadecan-14-one

1 reference

based on heuristic

inferred from SMILES

mass

488.350174636 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₅

0 references

canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2C(O)CC45OC5(CCC43C)C(C)CC(O)C6OC6(C)C)C1(C)C

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isomeric SMILES

C[C@H](C[C@H](O)[C@H]1OC1(C)C)[C@]12CC[C@]3(C)[C@@]4(C)CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4[C@@H](O)C[C@]13O2

0 references

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/C30H48O5/c1-17(15-18(31)23-25(4,5)34-23)29-14-13-28(8)27(7)12-9-20-24(2,3)21(33)10-11-26(20,6)22(27)19(32)16-30(28,29)35-29/h17-20,22-23,31-32H,9-16H2,1-8H3/t17-,18+,19+,20-,22+,23-,26+,27+,28-,29-,30-/m1/s1

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InChIKey

YJJJBGRZFBPGPS-BWVDWHOHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YJJJBGRZFBPGPS-BWVDWHOHSA-N

(Q105349306)

(1S,2R,5R,7R,9S,10S,11S,16S)-5-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-9-hydroxy-1,2,11,15,15-pentamethyl-6-oxapentacyclo[8.8.0.02,7.05,7.011,16]octadecan-14-one

Statements

Identifiers

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