(Q104398695)

English

(1S,6R,8S,11R,12S,15S,16R,19S,20S,21R)-20-(hydroxymethyl)-1,7,7,11,16,20-hexamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-3-ene-8,19-diol

chemical compound

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instance of

type of chemical entity

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subclass of

(1S,6R,8R,12S,16R,20S)-20-(hydroxymethyl)-1,7,7,11,16,20-hexamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-3-ene-8,19-diol

1 reference

based on heuristic

inferred from SMILES

(3S,6R,7S,11R,12R,15R,16R,21R)-7-(hydroxymethyl)-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol

1 reference

based on heuristic

inferred from SMILES

(1S,6R,12S,16R,19S,20S)-20-(hydroxymethyl)-1,7,7,11,16,20-hexamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-3-ene-8,19-diol

1 reference

1 reference

458.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,6S,7S,8R,11R,12S,15S,16R,19R,21R)-7-(hydroxymethyl)-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,6S,7S,8S,11R,12S,15S,16R,19R,21R)-7-(hydroxymethyl)-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,6R,7S,8R,11R,12S,15R,16R,19R,21R)-7-(hydroxymethyl)-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,6S,7S,8S,11R,12S,15S,16R,19S,21R)-7-(hydroxymethyl)-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,6R,8R,11R,12S,15S,16R,19R,20S,21R)-20-(hydroxymethyl)-1,7,7,11,16,20-hexamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-3-ene-8,19-diol

1 reference

based on heuristic

inferred from InChI

3-exo-Methyl-2-norbornanon

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₃

0 references

canonical SMILES

OCC1(C)C(O)CCC2(C)C3CCC4C(=CCC5C(C)(C)C(O)CCC45C)CC3(C)CCC12

0 references

isomeric SMILES

CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12

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found in taxon

Huperzia phlegmaria

1 reference

stated in

Triterpenoid constituents of Lycopodium phlegmaria L

Lycopodium clavatum

1 reference

stated in

Triterpenoids of Lycopodium clavatum: the structure of 21-episerratriol

Lycopodium deuterodensum

1 reference

stated in

Two New Abietanes from Lycopodium deuterodensum

Pseudolycopodium densum

1 reference

stated in

Two New Abietanes from Lycopodium deuterodensum

Huperzia lucidula

1 reference

stated in

The Triterpenes of Lycopodiumlucidulum Michx.

Phlegmariurus varius

1 reference

stated in

Triterpenoid constituents of Lycopodium phlegmaria L

Phlegmariurus phlegmaria

1 reference

stated in

Triterpenoid constituents of Lycopodium phlegmaria L

Identifiers

InChI

InChI=1S/C30H50O3/c1-26(2)21-9-7-19-17-27(3)14-11-23-29(5,16-13-25(33)30(23,6)18-31)22(27)10-8-20(19)28(21,4)15-12-24(26)32/h7,20-25,31-33H,8-18H2,1-6H3/t20-,21-,22-,23+,24-,25-,27-,28+,29+,30+/m0/s1

0 references

InChIKey

VYUNCIDAMBNEFU-WUKVYDFWSA-N

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CAS Registry Number

13956-52-0

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104398695)

(1S,6R,8S,11R,12S,15S,16R,19S,20S,21R)-20-(hydroxymethyl)-1,7,7,11,16,20-hexamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-3-ene-8,19-diol

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