(Q104401475)

English

[(2S,3S,4R,5R,6S,8S,10S,13R,14S,17R)-4-hydroxy-10,13,14-trimethyl-17-[(2R)-4-(2-methyl-1-propan-2-ylcyclopropyl)butan-2-yl]-2,3-disulfooxy-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-yl] hydrogen sulfate

group of stereoisomers with the chemical formula C₃₁H₅₂O₁₃S₃

In more languages

edit

Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

0 references

mass

728.257004724 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O₁₃S₃

0 references

canonical SMILES

O=S(=O)(O)OC1CC2(C3=CCC4(C)C(CCC4(C)C3CC(OS(=O)(=O)O)C2C(O)C1OS(=O)(=O)O)C(C)CCC5(CC5C)C(C)C)C

0 references

isomeric SMILES

CC(C)C1(CC[C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4C[C@H](OS(=O)(=O)O)[C@H]5[C@@H](O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C[C@]5(C)C4=CC[C@]23C)CC1C

0 references

found in taxon

Spheciospongia

1 reference

stated in

Spheciosterol sulfates, PKCzeta inhibitors from a philippine sponge Spheciospongia sp.

Topsentia

1 reference

stated in

Topsentiasterol sulfates, antimicrobial sterol sulfates possessing novel side chains, from a marine sponge, Topsentia sp.

Identifiers

InChI

InChI=1S/C31H52O13S3/c1-17(2)31(15-19(31)4)13-8-18(3)20-9-11-30(7)22-14-23(42-45(33,34)35)25-26(32)27(44-47(39,40)41)24(43-46(36,37)38)16-28(25,5)21(22)10-12-29(20,30)6/h10,17-20,22-27,32H,8-9,11-16H2,1-7H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)/t18-,19?,20-,22-,23+,24+,25+,26-,27-,28-,29-,30+,31?/m1/s1

0 references

InChIKey

NKLGRJLCGSYVNU-ALGPKGRHSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

NKLGRJLCGSYVNU-ALGPKGRHSA-N

1 reference

(Q104401475)

[(2S,3S,4R,5R,6S,8S,10S,13R,14S,17R)-4-hydroxy-10,13,14-trimethyl-17-[(2R)-4-(2-methyl-1-propan-2-ylcyclopropyl)butan-2-yl]-2,3-disulfooxy-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-yl] hydrogen sulfate

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)