(Q104996481)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(7,9-Dihydroxy-5a,5b,11a,13b-tetramethyl-8-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-6-yl) 4-hydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

562.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₀O₅

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canonical SMILES

O=C(OC1C(O)C2C(=C)C(O)CCC2(C)C3CCC4C5(C)CCC(C(=C)C)C5CCC4(C)C13C)C6=CC=C(O)C=C6

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isomeric SMILES

C=C1[C@@H](O)CC[C@@]2(C)[C@@H]1[C@H](O)[C@H](OC(=O)c1ccc(O)cc1)[C@]1(C)[C@H]2CC[C@@H]2[C@@]3(C)CC[C@@H](C(=C)C)[C@H]3CC[C@]21C

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found in taxon

Diatenopteryx sorbifolia

1 reference

stated in

24-norhopene derivatives from Diatenopteryx sorbifolia

Identifiers

InChI

InChI=1S/C36H50O5/c1-20(2)24-14-17-33(4)25(24)15-19-35(6)27(33)12-13-28-34(5)18-16-26(38)21(3)29(34)30(39)31(36(28,35)7)41-32(40)22-8-10-23(37)11-9-22/h8-11,24-31,37-39H,1,3,12-19H2,2,4-7H3/t24-,25+,26-,27+,28-,29-,30-,31-,33-,34+,35+,36-/m0/s1

0 references

InChIKey

FKBMDXDGRZSAQH-BAVCCPPKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FKBMDXDGRZSAQH-BAVCCPPKSA-N

(Q104996481)

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

Statements

Identifiers

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