(Q105328227)

English

(1R,3aR,5aS,5bR,7aR,9R,11aR,11bR,13aS,13bR)-5a-(hydroxymethyl)-3a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3beta-20(29)-Lupene-3,27-diol

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,3aR,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bS)-5a-(hydroxymethyl)-3a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Lup-20(29)-ene-3beta,27-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₂

0 references

canonical SMILES

OCC12CCC3(C)CCC(C(=C)C)C3C2CCC4C5(C)CCC(O)C(C)(C)C5CCC41C

0 references

isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(CO)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

0 references

found in taxon

Diospyros malabarica

1 reference

stated in

Peregrinol, a lupane type triterpene from the fruits of Diospyros peregrina

Identifiers

InChI

InChI=1S/C30H50O2/c1-19(2)20-10-13-27(5)16-17-30(18-31)21(25(20)27)8-9-23-28(6)14-12-24(32)26(3,4)22(28)11-15-29(23,30)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21-,22-,23+,24+,25+,27+,28-,29+,30-/m0/s1

0 references

InChIKey

XHOGEOQSRLNKKB-MUDSBDPBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XHOGEOQSRLNKKB-MUDSBDPBSA-N

1 reference

1 reference

XHOGEOQSRLNKKB-MUDSBDPBSA-N

17 April 2021

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

(Q105328227)

(1R,3aR,5aS,5bR,7aR,9R,11aR,11bR,13aS,13bR)-5a-(hydroxymethyl)-3a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

Statements

Identifiers

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