(Q105265136)

English

(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-1-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

9-hydroxy-1-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a-pentamethyl-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

474.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₄

0 references

canonical SMILES

O=C(O)C12CCC(C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1)C(O)(C)C

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isomeric SMILES

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

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found in taxon

Oedera calycina

1 reference

stated in

Diterpenes and other constituents fromRelhania species

Relhania calycina

1 reference

stated in

Diterpenes and other constituents fromRelhania species

Identifiers

InChI

InChI=1S/C30H50O4/c1-25(2)20-11-14-29(7)21(27(20,5)13-12-22(25)31)9-8-19-23-18(26(3,4)34)10-15-30(23,24(32)33)17-16-28(19,29)6/h18-23,31,34H,8-17H2,1-7H3,(H,32,33)/t18-,19-,20+,21-,22+,23-,27+,28-,29-,30+/m1/s1

0 references

InChIKey

TUZPJVKGJOMBFR-BCKCWPCYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TUZPJVKGJOMBFR-BCKCWPCYSA-N

(Q105265136)

(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-1-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

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